[4-(cyclohexylmethyl)cyclohexyl]methanediol

C14H26O2 — CID 141266988

IUPAC[4-(cyclohexylmethyl)cyclohexyl]methanediol
SMILESOC(O)C1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C14H26O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-16H,1-10H2
InChIKeyQOKGPWKFWFUXAK-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.07
Rot. Bonds3

About [4-(cyclohexylmethyl)cyclohexyl]methanediol

[4-(cyclohexylmethyl)cyclohexyl]methanediol (PubChem CID 141266988) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)cyclohexyl]methanediol.

Molecular Properties

Compound Name[4-(cyclohexylmethyl)cyclohexyl]methanediol
PubChem CID141266988
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name[4-(cyclohexylmethyl)cyclohexyl]methanediol
SMILESOC(O)C1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C14H26O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-16H,1-10H2
InChIKeyQOKGPWKFWFUXAK-UHFFFAOYSA-N
XLogP3.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
cyclopentadecylmethylcyclopentadecane
CID 91804599
[4-(hydroxymethyl)cyclohexyl]methanediol
CID 66765229
carbanide;bis(cyclopentane);cyclopentylmethylcyclopentane;bis(iron(2+))
CID 162297269
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
1,4-bis(cyclohexylmethyl)cyclohexane;propane;hydrofluoride;hydroiodide
CID 169430609
1-chloro-4-(cyclohexylmethyl)cyclohexane
CID 67573435
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
CID 143182183
1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)
CID 21015071
[4-(dihydroxymethyl)cyclohexyl]methanediol;formaldehyde
CID 154948838
cyclooctyl-(4-ethylcyclohexyl)methanol
CID 80602985

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethyl)cyclohexyl]methanediol?
The IUPAC name of [4-(cyclohexylmethyl)cyclohexyl]methanediol (CID 141266988) is [4-(cyclohexylmethyl)cyclohexyl]methanediol.
What is the SMILES notation for [4-(cyclohexylmethyl)cyclohexyl]methanediol?
The canonical SMILES for [4-(cyclohexylmethyl)cyclohexyl]methanediol is OC(O)C1CCC(CC2CCCCC2)CC1.
What is the InChIKey of [4-(cyclohexylmethyl)cyclohexyl]methanediol?
The InChIKey is QOKGPWKFWFUXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-16H,1-10H2.
What are the key properties of [4-(cyclohexylmethyl)cyclohexyl]methanediol?
[4-(cyclohexylmethyl)cyclohexyl]methanediol has a molecular weight of 226.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethyl)cyclohexyl]methanediol is sourced from PubChem (CID 141266988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).