4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate

C255H450O60 — CID 159544864

IUPAC4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate
SMILESCCCC1CCC(C(=O)OCCCC(=O)OC)CC1.CCCC1CCC(C(=O)OCCCCCC(=O)OC)CC1.CCCC1CCC(C(=O)OCCCCCCOC(C)=O)CC1.CCCC1CCC(C(=O)OCCCCOC(C)=O)CC1.CCCC1CCC(C(=O)OCCOC(C)=O)CC1.CCCCC1CCC(C(=O)OCCCC(=O)OC)CC1.CCCCC1CCC(C(=O)OCCCCCC(=O)OC)CC1.CCCCC1CCC(C(=O)OCCCCCCOC(C)=O)CC1.CCCCC1CCC(C(=O)OCCCCOC(C)=O)CC1.CCCCC1CCC(C(=O)OCCOC(C)=O)CC1.CCCCCC1CCC(C(=O)OCCCC(=O)OC)CC1.CCCCCC1CCC(C(=O)OCCCCCC(=O)OC)CC1.CCCCCC1CCC(C(=O)OCCCCCCOC(C)=O)CC1.CCCCCC1CCC(C(=O)OCCCCOC(C)=O)CC1.CCCCCC1CCC(C(=O)OCCOC(C)=O)CC1
InChIInChI=1S/C20H36O4.2C19H34O4.3C18H32O4.3C17H30O4.3C16H28O4.2C15H26O4.C14H24O4/c1-3-4-7-10-18-11-13-19(14-12-18)20(22)24-16-9-6-5-8-15-23-17(2)21;1-3-4-9-17-10-12-18(13-11-17)19(21)23-15-8-6-5-7-14-22-16(2)20;1-3-4-6-9-16-11-13-17(14-12-16)19(21)23-15-8-5-7-10-18(20)22-2;1-3-8-16-9-11-17(12-10-16)18(20)22-14-7-5-4-6-13-21-15(2)19;1-3-4-8-15-10-12-16(13-11-15)18(20)22-14-7-5-6-9-17(19)21-2;1-3-4-5-8-16-9-11-17(12-10-16)18(20)22-14-7-6-13-21-15(2)19;1-3-7-14-9-11-15(12-10-14)17(19)21-13-6-4-5-8-16(18)20-2;1-3-4-7-15-8-10-16(11-9-15)17(19)21-13-6-5-12-20-14(2)18;1-3-4-5-7-14-9-11-15(12-10-14)17(19)21-13-6-8-16(18)20-2;1-3-6-14-7-9-15(10-8-14)16(18)20-12-5-4-11-19-13(2)17;1-3-4-6-13-8-10-14(11-9-13)16(18)20-12-5-7-15(17)19-2;1-3-4-5-6-14-7-9-15(10-8-14)16(18)20-12-11-19-13(2)17;1-3-5-12-7-9-13(10-8-12)15(17)19-11-4-6-14(16)18-2;1-3-4-5-13-6-8-14(9-7-13)15(17)19-11-10-18-12(2)16;1-3-4-12-5-7-13(8-6-12)14(16)18-10-9-17-11(2)15/h18-19H,3-16H2,1-2H3;17-18H,3-15H2,1-2H3;16-17H,3-15H2,1-2H3;16-17H,3-14H2,1-2H3;15-16H,3-14H2,1-2H3;16-17H,3-14H2,1-2H3;14-15H,3-13H2,1-2H3;15-16H,3-13H2,1-2H3;14-15H,3-13H2,1-2H3;14-15H,3-12H2,1-2H3;13-14H,3-12H2,1-2H3;14-15H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;13-14H,3-11H2,1-2H3;12-13H,3-10H2,1-2H3
InChIKeyMERBMXSCYMQWLP-UHFFFAOYSA-N
MW4476.35 g/mol
LogP58.04
Rot. Bonds135

About 4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate

4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate (PubChem CID 159544864) has the molecular formula C255H450O60 and a molecular weight of 4476.35 g/mol. Its IUPAC name is 4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate
PubChem CID159544864
Molecular FormulaC255H450O60
Molecular Weight4476.35 g/mol
Exact Mass4473.22
IUPAC Name4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate
SMILESCCCC1CCC(C(=O)OCCCC(=O)OC)CC1.CCCC1CCC(C(=O)OCCCCCC(=O)OC)CC1.CCCC1CCC(C(=O)OCCCCCCOC(C)=O)CC1.CCCC1CCC(C(=O)OCCCCOC(C)=O)CC1.CCCC1CCC(C(=O)OCCOC(C)=O)CC1.CCCCC1CCC(C(=O)OCCCC(=O)OC)CC1.CCCCC1CCC(C(=O)OCCCCCC(=O)OC)CC1.CCCCC1CCC(C(=O)OCCCCCCOC(C)=O)CC1.CCCCC1CCC(C(=O)OCCCCOC(C)=O)CC1.CCCCC1CCC(C(=O)OCCOC(C)=O)CC1.CCCCCC1CCC(C(=O)OCCCC(=O)OC)CC1.CCCCCC1CCC(C(=O)OCCCCCC(=O)OC)CC1.CCCCCC1CCC(C(=O)OCCCCCCOC(C)=O)CC1.CCCCCC1CCC(C(=O)OCCCCOC(C)=O)CC1.CCCCCC1CCC(C(=O)OCCOC(C)=O)CC1
InChIInChI=1S/C20H36O4.2C19H34O4.3C18H32O4.3C17H30O4.3C16H28O4.2C15H26O4.C14H24O4/c1-3-4-7-10-18-11-13-19(14-12-18)20(22)24-16-9-6-5-8-15-23-17(2)21;1-3-4-9-17-10-12-18(13-11-17)19(21)23-15-8-6-5-7-14-22-16(2)20;1-3-4-6-9-16-11-13-17(14-12-16)19(21)23-15-8-5-7-10-18(20)22-2;1-3-8-16-9-11-17(12-10-16)18(20)22-14-7-5-4-6-13-21-15(2)19;1-3-4-8-15-10-12-16(13-11-15)18(20)22-14-7-5-6-9-17(19)21-2;1-3-4-5-8-16-9-11-17(12-10-16)18(20)22-14-7-6-13-21-15(2)19;1-3-7-14-9-11-15(12-10-14)17(19)21-13-6-4-5-8-16(18)20-2;1-3-4-7-15-8-10-16(11-9-15)17(19)21-13-6-5-12-20-14(2)18;1-3-4-5-7-14-9-11-15(12-10-14)17(19)21-13-6-8-16(18)20-2;1-3-6-14-7-9-15(10-8-14)16(18)20-12-5-4-11-19-13(2)17;1-3-4-6-13-8-10-14(11-9-13)16(18)20-12-5-7-15(17)19-2;1-3-4-5-6-14-7-9-15(10-8-14)16(18)20-12-11-19-13(2)17;1-3-5-12-7-9-13(10-8-12)15(17)19-11-4-6-14(16)18-2;1-3-4-5-13-6-8-14(9-7-13)15(17)19-11-10-18-12(2)16;1-3-4-12-5-7-13(8-6-12)14(16)18-10-9-17-11(2)15/h18-19H,3-16H2,1-2H3;17-18H,3-15H2,1-2H3;16-17H,3-15H2,1-2H3;16-17H,3-14H2,1-2H3;15-16H,3-14H2,1-2H3;16-17H,3-14H2,1-2H3;14-15H,3-13H2,1-2H3;15-16H,3-13H2,1-2H3;14-15H,3-13H2,1-2H3;14-15H,3-12H2,1-2H3;13-14H,3-12H2,1-2H3;14-15H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;13-14H,3-11H2,1-2H3;12-13H,3-10H2,1-2H3
InChIKeyMERBMXSCYMQWLP-UHFFFAOYSA-N
XLogP58.04
TPSA789.00 Ų
H-Bond Donors
H-Bond Acceptors60
Rotatable Bonds135
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004476.35
LogP ≤ 558.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl octanoate;octyl acetate
CID 158070409
9-cyclopropylnonyl hexanoate
CID 21445837
5-cyclopropylpentyl tetradecanoate
CID 21445891
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
6-prop-2-enoyloxyhexyl 4-pentylcyclohexane-1-carboxylate
CID 126578276
13-cyclopropyltridecyl pentanoate
CID 54121613
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
4-formyloxybutyl 4-butylcyclohexane-1-carboxylate
CID 90194300
4-(4-pentylcyclohexyl)pentyl 4-butylcyclohexane-1-carboxylate
CID 23334914
1-O-methyl 6-O-octadecyl hexanedioate
CID 91718016
butyl 4-(2-fluoroethyl)cyclohexane-1-carboxylate
CID 70829178

Frequently Asked Questions

What is the IUPAC name of 4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate?
The IUPAC name of 4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate (CID 159544864) is 4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate.
What is the SMILES notation for 4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate?
The canonical SMILES for 4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate is CCCC1CCC(C(=O)OCCCC(=O)OC)CC1.CCCC1CCC(C(=O)OCCCCCC(=O)OC)CC1.CCCC1CCC(C(=O)OCCCCCCOC(C)=O)CC1.CCCC1CCC(C(=O)OCCCCOC(C)=O)CC1.CCCC1CCC(C(=O)OCCOC(C)=O)CC1.CCCCC1CCC(C(=O)OCCCC(=O)OC)CC1.CCCCC1CCC(C(=O)OCCCCCC(=O)OC)CC1.CCCCC1CCC(C(=O)OCCCCCCOC(C)=O)CC1.CCCCC1CCC(C(=O)OCCCCOC(C)=O)CC1.CCCCC1CCC(C(=O)OCCOC(C)=O)CC1.CCCCCC1CCC(C(=O)OCCCC(=O)OC)CC1.CCCCCC1CCC(C(=O)OCCCCCC(=O)OC)CC1.CCCCCC1CCC(C(=O)OCCCCCCOC(C)=O)CC1.CCCCCC1CCC(C(=O)OCCCCOC(C)=O)CC1.CCCCCC1CCC(C(=O)OCCOC(C)=O)CC1.
What is the InChIKey of 4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate?
The InChIKey is MERBMXSCYMQWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4.2C19H34O4.3C18H32O4.3C17H30O4.3C16H28O4.2C15H26O4.C14H24O4/c1-3-4-7-10-18-11-13-19(14-12-18)20(22)24-16-9-6-5-8-15-23-17(2)21;1-3-4-9-17-10-12-18(13-11-17)19(21)23-15-8-6-5-7-14-22-16(2)20;1-3-4-6-9-16-11-13-17(14-12-16)19(21)23-15-8-5-7-10-18(20)22-2;1-3-8-16-9-11-17(12-10-16)18(20)22-14-7-5-4-6-13-21-15(2)19;1-3-4-8-15-10-12-16(13-11-15)18(20)22-14-7-5-6-9-17(19)21-2;1-3-4-5-8-16-9-11-17(12-10-16)18(20)22-14-7-6-13-21-15(2)19;1-3-7-14-9-11-15(12-10-14)17(19)21-13-6-4-5-8-16(18)20-2;1-3-4-7-15-8-10-16(11-9-15)17(19)21-13-6-5-12-20-14(2)18;1-3-4-5-7-14-9-11-15(12-10-14)17(19)21-13-6-8-16(18)20-2;1-3-6-14-7-9-15(10-8-14)16(18)20-12-5-4-11-19-13(2)17;1-3-4-6-13-8-10-14(11-9-13)16(18)20-12-5-7-15(17)19-2;1-3-4-5-6-14-7-9-15(10-8-14)16(18)20-12-11-19-13(2)17;1-3-5-12-7-9-13(10-8-12)15(17)19-11-4-6-14(16)18-2;1-3-4-5-13-6-8-14(9-7-13)15(17)19-11-10-18-12(2)16;1-3-4-12-5-7-13(8-6-12)14(16)18-10-9-17-11(2)15/h18-19H,3-16H2,1-2H3;17-18H,3-15H2,1-2H3;16-17H,3-15H2,1-2H3;16-17H,3-14H2,1-2H3;15-16H,3-14H2,1-2H3;16-17H,3-14H2,1-2H3;14-15H,3-13H2,1-2H3;15-16H,3-13H2,1-2H3;14-15H,3-13H2,1-2H3;14-15H,3-12H2,1-2H3;13-14H,3-12H2,1-2H3;14-15H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;13-14H,3-11H2,1-2H3;12-13H,3-10H2,1-2H3.
What are the key properties of 4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate?
4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate has a molecular weight of 4476.35 g/mol, XLogP of 58.04, 135 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate is sourced from PubChem (CID 159544864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).