1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one

C78H140O4 — CID 173409257

IUPAC1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one
SMILESCCCC(=O)C1CCC(C2CCC(CCC)CC2C)CC1.CCCC1CCC(C2CCC(C(=O)CC)CC2)C(C)C1.CCCC1CCC(C2CCC(C(C)=O)CC2)C(C)C1.CCCCC(=O)C1CCC(C2CCC(CCC)CC2C)CC1
InChIInChI=1S/C21H38O.C20H36O.C19H34O.C18H32O/c1-4-6-8-21(22)19-12-10-18(11-13-19)20-14-9-17(7-5-2)15-16(20)3;1-4-6-16-8-13-19(15(3)14-16)17-9-11-18(12-10-17)20(21)7-5-2;1-4-6-15-7-12-18(14(3)13-15)16-8-10-17(11-9-16)19(20)5-2;1-4-5-15-6-11-18(13(2)12-15)17-9-7-16(8-10-17)14(3)19/h16-20H,4-15H2,1-3H3;15-19H,4-14H2,1-3H3;14-18H,4-13H2,1-3H3;13,15-18H,4-12H2,1-3H3
InChIKeyFPVWVGPTGYJEST-UHFFFAOYSA-N
MW1141.97 g/mol
LogP23.28
Rot. Bonds22

About 1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one

1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one (PubChem CID 173409257) has the molecular formula C78H140O4 and a molecular weight of 1141.97 g/mol. Its IUPAC name is 1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one
PubChem CID173409257
Molecular FormulaC78H140O4
Molecular Weight1141.97 g/mol
Exact Mass1141.08
IUPAC Name1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one
SMILESCCCC(=O)C1CCC(C2CCC(CCC)CC2C)CC1.CCCC1CCC(C2CCC(C(=O)CC)CC2)C(C)C1.CCCC1CCC(C2CCC(C(C)=O)CC2)C(C)C1.CCCCC(=O)C1CCC(C2CCC(CCC)CC2C)CC1
InChIInChI=1S/C21H38O.C20H36O.C19H34O.C18H32O/c1-4-6-8-21(22)19-12-10-18(11-13-19)20-14-9-17(7-5-2)15-16(20)3;1-4-6-16-8-13-19(15(3)14-16)17-9-11-18(12-10-17)20(21)7-5-2;1-4-6-15-7-12-18(14(3)13-15)16-8-10-17(11-9-16)19(20)5-2;1-4-5-15-6-11-18(13(2)12-15)17-9-7-16(8-10-17)14(3)19/h16-20H,4-15H2,1-3H3;15-19H,4-14H2,1-3H3;14-18H,4-13H2,1-3H3;13,15-18H,4-12H2,1-3H3
InChIKeyFPVWVGPTGYJEST-UHFFFAOYSA-N
XLogP23.28
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.97
LogP ≤ 523.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one 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

1-(4-propylcyclohexyl)decan-1-one
CID 65424252
1-[4-[(2R,4aR,6S,8aR)-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]cyclohexyl]ethanone
CID 171478133
1-[4-[(2R,4aS,6S,8aR)-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]cyclohexyl]propan-1-one
CID 56627518
1-(4-methylcyclohexyl)pentan-1-one
CID 62621945
3-chloro-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-1-one
CID 175787154
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
4-[(2R,4S)-2-methyl-4-propylcyclohexyl]cyclohexane-1-carbonitrile
CID 70402594
1-(4-pentylcyclohexyl)ethanone
CID 13278013
[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl] pentanoate
CID 70424682
(4-hexylcyclohexyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 23334615
1-[4-(aminomethyl)cyclohexyl]hexan-1-one
CID 116592469
1-(3-ethylcyclopentyl)butan-1-one
CID 65407371

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one?
The IUPAC name of 1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one (CID 173409257) is 1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one.
What is the SMILES notation for 1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one?
The canonical SMILES for 1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one is CCCC(=O)C1CCC(C2CCC(CCC)CC2C)CC1.CCCC1CCC(C2CCC(C(=O)CC)CC2)C(C)C1.CCCC1CCC(C2CCC(C(C)=O)CC2)C(C)C1.CCCCC(=O)C1CCC(C2CCC(CCC)CC2C)CC1.
What is the InChIKey of 1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one?
The InChIKey is FPVWVGPTGYJEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O.C20H36O.C19H34O.C18H32O/c1-4-6-8-21(22)19-12-10-18(11-13-19)20-14-9-17(7-5-2)15-16(20)3;1-4-6-16-8-13-19(15(3)14-16)17-9-11-18(12-10-17)20(21)7-5-2;1-4-6-15-7-12-18(14(3)13-15)16-8-10-17(11-9-16)19(20)5-2;1-4-5-15-6-11-18(13(2)12-15)17-9-7-16(8-10-17)14(3)19/h16-20H,4-15H2,1-3H3;15-19H,4-14H2,1-3H3;14-18H,4-13H2,1-3H3;13,15-18H,4-12H2,1-3H3.
What are the key properties of 1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one?
1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one has a molecular weight of 1141.97 g/mol, XLogP of 23.28, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]butan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]ethanone;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]pentan-1-one;1-[4-(2-methyl-4-propylcyclohexyl)cyclohexyl]propan-1-one is sourced from PubChem (CID 173409257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).