1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol

C17H32O — CID 65090860

IUPAC1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(C2CCC(C)CC2)CC1
InChIInChI=1S/C17H32O/c1-3-5-15-6-4-12-17(18,13-11-15)16-9-7-14(2)8-10-16/h14-16,18H,3-13H2,1-2H3
InChIKeyKMXNZJLFSXUVKS-UHFFFAOYSA-N
MW252.44 g/mol
LogP4.92
Rot. Bonds3

About 1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol

1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol (PubChem CID 65090860) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol
PubChem CID65090860
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(C2CCC(C)CC2)CC1
InChIInChI=1S/C17H32O/c1-3-5-15-6-4-12-17(18,13-11-15)16-9-7-14(2)8-10-16/h14-16,18H,3-13H2,1-2H3
InChIKeyKMXNZJLFSXUVKS-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol
CID 64730670
4-ethyl-1-(4-ethylcyclohexyl)cycloheptan-1-ol
CID 65085835
1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol
CID 59969086
1-cycloheptyl-4-ethylcycloheptan-1-ol
CID 82929121
1-(azepan-2-yl)-4-propylcycloheptan-1-ol
CID 65090460
1-methyl-5-propylcyclononane
CID 54361658
1-methyl-4-propylcycloheptane
CID 90967653
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
1-(2-ethylcyclohexyl)-4-propylcyclohexan-1-ol
CID 63861268
1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine
CID 65086896
1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
CID 79128311
4-propyl-1-prop-2-ynylcycloheptan-1-ol
CID 65090248

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol?
The IUPAC name of 1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol (CID 65090860) is 1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol?
The InChIKey is KMXNZJLFSXUVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-3-5-15-6-4-12-17(18,13-11-15)16-9-7-14(2)8-10-16/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol?
1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol has a molecular weight of 252.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol is sourced from PubChem (CID 65090860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).