bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate

C231H414O32 — CID 163713786

IUPACbis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate
SMILESC=CC(=O)OCC(CC)CCCC.C=CC(=O)OCC(CCC)CCCCC.C=CC(=O)OCC(CCCC)CCCCCC.C=CC(=O)OCC1CCC(CCCC)CC1.C=CC(=O)OCC1CCC(CCCC)CC1.C=CC(=O)OCC1CCC(CCCCC)CC1.C=CC(=O)OCC1CCC(CCCCCCC)CC1.C=CC(=O)OCCCC.C=CC(=O)OCCCCCC.C=CC(=O)OCCCCCCCC.C=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCCCCCCCC.C=CC(=O)OCc1ccc(CCCCCCCC)cc1
InChIInChI=1S/C23H44O2.C19H36O2.C18H26O2.C17H30O2.C17H32O2.C15H26O2.2C15H28O2.2C14H24O2.2C13H24O2.2C11H20O2.C9H16O2.C7H12O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(24)4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2;1-3-5-6-7-8-9-10-16-11-13-17(14-12-16)15-20-18(19)4-2;1-3-5-6-7-8-9-15-10-12-16(13-11-15)14-19-17(18)4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;1-3-5-6-7-13-8-10-14(11-9-13)12-17-15(16)4-2;1-4-7-9-10-12-14(11-8-5-2)13-17-15(16)6-3;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;2*1-3-5-6-12-7-9-13(10-8-12)11-16-14(15)4-2;1-4-7-8-10-12(9-5-2)11-15-13(14)6-3;1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-5-6-7-8-9-10-13-11(12)4-2;1-3-5-6-7-8-11-9(10)4-2;1-3-5-6-9-7(8)4-2/h4H,2-3,5-22H2,1H3;4H,2-3,5-18H2,1H3;4,11-14H,2-3,5-10,15H2,1H3;4,15-16H,2-3,5-14H2,1H3;4H,2-3,5-16H2,1H3;4,13-14H,2-3,5-12H2,1H3;6,14H,3-5,7-13H2,1-2H3;4H,2-3,5-14H2,1H3;2*4,12-13H,2-3,5-11H2,1H3;6,12H,3-5,7-11H2,1-2H3;4H,2-3,5-12H2,1H3;6,10H,3-5,7-9H2,1-2H3;4H,2-3,5-10H2,1H3;4H,2-3,5-8H2,1H3;4H,2-3,5-6H2,1H3
InChIKeyKLNSEJOMXFPYEN-UHFFFAOYSA-N
MW3703.82 g/mol
LogP67.12
Rot. Bonds155

About bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate

bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate (PubChem CID 163713786) has the molecular formula C231H414O32 and a molecular weight of 3703.82 g/mol. Its IUPAC name is bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate.

Molecular Properties

Compound Namebis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate
PubChem CID163713786
Molecular FormulaC231H414O32
Molecular Weight3703.82 g/mol
Exact Mass3701.08
IUPAC Namebis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate
SMILESC=CC(=O)OCC(CC)CCCC.C=CC(=O)OCC(CCC)CCCCC.C=CC(=O)OCC(CCCC)CCCCCC.C=CC(=O)OCC1CCC(CCCC)CC1.C=CC(=O)OCC1CCC(CCCC)CC1.C=CC(=O)OCC1CCC(CCCCC)CC1.C=CC(=O)OCC1CCC(CCCCCCC)CC1.C=CC(=O)OCCCC.C=CC(=O)OCCCCCC.C=CC(=O)OCCCCCCCC.C=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCCCCCCCC.C=CC(=O)OCc1ccc(CCCCCCCC)cc1
InChIInChI=1S/C23H44O2.C19H36O2.C18H26O2.C17H30O2.C17H32O2.C15H26O2.2C15H28O2.2C14H24O2.2C13H24O2.2C11H20O2.C9H16O2.C7H12O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(24)4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2;1-3-5-6-7-8-9-10-16-11-13-17(14-12-16)15-20-18(19)4-2;1-3-5-6-7-8-9-15-10-12-16(13-11-15)14-19-17(18)4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;1-3-5-6-7-13-8-10-14(11-9-13)12-17-15(16)4-2;1-4-7-9-10-12-14(11-8-5-2)13-17-15(16)6-3;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;2*1-3-5-6-12-7-9-13(10-8-12)11-16-14(15)4-2;1-4-7-8-10-12(9-5-2)11-15-13(14)6-3;1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-5-6-7-8-9-10-13-11(12)4-2;1-3-5-6-7-8-11-9(10)4-2;1-3-5-6-9-7(8)4-2/h4H,2-3,5-22H2,1H3;4H,2-3,5-18H2,1H3;4,11-14H,2-3,5-10,15H2,1H3;4,15-16H,2-3,5-14H2,1H3;4H,2-3,5-16H2,1H3;4,13-14H,2-3,5-12H2,1H3;6,14H,3-5,7-13H2,1-2H3;4H,2-3,5-14H2,1H3;2*4,12-13H,2-3,5-11H2,1H3;6,12H,3-5,7-11H2,1-2H3;4H,2-3,5-12H2,1H3;6,10H,3-5,7-9H2,1-2H3;4H,2-3,5-10H2,1H3;4H,2-3,5-8H2,1H3;4H,2-3,5-6H2,1H3
InChIKeyKLNSEJOMXFPYEN-UHFFFAOYSA-N
XLogP67.12
TPSA420.80 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds155
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003703.82
LogP ≤ 567.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate 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

(4-butylcyclohexyl)methyl prop-2-enoate;2-butyloctyl prop-2-enoate;(4-butylphenyl)methyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;(4-hexylphenyl)methyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159017592
2-ethylhexyl prop-2-enoate;heptyl prop-2-enoate
CID 19881997
2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate
CID 87522127
2-butyldodecyl prop-2-enoate
CID 141303705
6-[4-(4-pentylcyclohexyl)phenoxy]hexyl prop-2-enoate
CID 21036152
1-O-(4-hexylphenyl) 4-O-[4-(6-prop-2-enoyloxyhexyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 59386500
2-octyldecyl prop-2-enoate
CID 71353023
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
2-ethylhexyl prop-2-enoate;hexyl 2-methylprop-2-enoate
CID 88669933
diethyl (2R,3R)-2,3-bis[[4-[4-(4-pentylcyclohexyl)butyl]phenyl]methoxy]butanedioate
CID 67826302
6-prop-2-enoyloxyhexyl 4-pentylcyclohexane-1-carboxylate
CID 126578276
bis(bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);ethane;[4-(4-hexoxycyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;bis(1-O-(4-hexylphenyl) 4-O-[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate);bis([4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate);[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-hexoxybenzoate
CID 161042162

Frequently Asked Questions

What is the IUPAC name of bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate?
The IUPAC name of bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate (CID 163713786) is bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate.
What is the SMILES notation for bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate?
The canonical SMILES for bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate is C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCC(CCC)CCCCC.C=CC(=O)OCC(CCCC)CCCCCC.C=CC(=O)OCC1CCC(CCCC)CC1.C=CC(=O)OCC1CCC(CCCC)CC1.C=CC(=O)OCC1CCC(CCCCC)CC1.C=CC(=O)OCC1CCC(CCCCCCC)CC1.C=CC(=O)OCCCC.C=CC(=O)OCCCCCC.C=CC(=O)OCCCCCCCC.C=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCCCCCCCC.C=CC(=O)OCc1ccc(CCCCCCCC)cc1.
What is the InChIKey of bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate?
The InChIKey is KLNSEJOMXFPYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2.C19H36O2.C18H26O2.C17H30O2.C17H32O2.C15H26O2.2C15H28O2.2C14H24O2.2C13H24O2.2C11H20O2.C9H16O2.C7H12O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(24)4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2;1-3-5-6-7-8-9-10-16-11-13-17(14-12-16)15-20-18(19)4-2;1-3-5-6-7-8-9-15-10-12-16(13-11-15)14-19-17(18)4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;1-3-5-6-7-13-8-10-14(11-9-13)12-17-15(16)4-2;1-4-7-9-10-12-14(11-8-5-2)13-17-15(16)6-3;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;2*1-3-5-6-12-7-9-13(10-8-12)11-16-14(15)4-2;1-4-7-8-10-12(9-5-2)11-15-13(14)6-3;1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-5-6-7-8-9-10-13-11(12)4-2;1-3-5-6-7-8-11-9(10)4-2;1-3-5-6-9-7(8)4-2/h4H,2-3,5-22H2,1H3;4H,2-3,5-18H2,1H3;4,11-14H,2-3,5-10,15H2,1H3;4,15-16H,2-3,5-14H2,1H3;4H,2-3,5-16H2,1H3;4,13-14H,2-3,5-12H2,1H3;6,14H,3-5,7-13H2,1-2H3;4H,2-3,5-14H2,1H3;2*4,12-13H,2-3,5-11H2,1H3;6,12H,3-5,7-11H2,1-2H3;4H,2-3,5-12H2,1H3;6,10H,3-5,7-9H2,1-2H3;4H,2-3,5-10H2,1H3;4H,2-3,5-8H2,1H3;4H,2-3,5-6H2,1H3.
What are the key properties of bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate?
bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate has a molecular weight of 3703.82 g/mol, XLogP of 67.12, 155 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-butylcyclohexyl)methyl prop-2-enoate);2-butyloctyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate is sourced from PubChem (CID 163713786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).