3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol

C15H28O — CID 64739881

IUPAC3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol
SMILESCC1CCC(C2CCCCC(O)C2)CC1C
InChIInChI=1S/C15H28O/c1-11-7-8-14(9-12(11)2)13-5-3-4-6-15(16)10-13/h11-16H,3-10H2,1-2H3
InChIKeySMNRZYCELQKKGM-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.00
Rot. Bonds1

About 3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol

3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol (PubChem CID 64739881) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol
PubChem CID64739881
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol
SMILESCC1CCC(C2CCCCC(O)C2)CC1C
InChIInChI=1S/C15H28O/c1-11-7-8-14(9-12(11)2)13-5-3-4-6-15(16)10-13/h11-16H,3-10H2,1-2H3
InChIKeySMNRZYCELQKKGM-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol 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

3-(3-hydroxycyclohexyl)cycloheptan-1-ol
CID 129132382
(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 7188325
(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 640668
trans-(1R,3R)-3-cyclopentylcyclohexan-1-ol
CID 66963449
3-cyclohexylcyclopentan-1-ol
CID 64515309
(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol
CID 6994302
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
CID 13056507
7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 58552768
trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 59970721
3-methylcyclononan-1-ol
CID 143603449
(1S)-3-methylcyclopentadecan-1-ol
CID 177450802

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol (CID 64739881) is 3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol is CC1CCC(C2CCCCC(O)C2)CC1C.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol?
The InChIKey is SMNRZYCELQKKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-11-7-8-14(9-12(11)2)13-5-3-4-6-15(16)10-13/h11-16H,3-10H2,1-2H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol?
3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol is sourced from PubChem (CID 64739881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).