1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol

C15H28O2 — CID 172711110

IUPAC1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(OC2CCCCC2)C1(C)C
InChIInChI=1S/C15H28O2/c1-12-8-7-11-15(16,14(12,2)3)17-13-9-5-4-6-10-13/h12-13,16H,4-11H2,1-3H3
InChIKeyGGLYWWGSILLUJA-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.87
Rot. Bonds2

About 1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol

1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol (PubChem CID 172711110) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol
PubChem CID172711110
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(OC2CCCCC2)C1(C)C
InChIInChI=1S/C15H28O2/c1-12-8-7-11-15(16,14(12,2)3)17-13-9-5-4-6-10-13/h12-13,16H,4-11H2,1-3H3
InChIKeyGGLYWWGSILLUJA-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol?
The IUPAC name of 1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol (CID 172711110) is 1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol is CC1CCCC(O)(OC2CCCCC2)C1(C)C.
What is the InChIKey of 1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol?
The InChIKey is GGLYWWGSILLUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-12-8-7-11-15(16,14(12,2)3)17-13-9-5-4-6-10-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol?
1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol is sourced from PubChem (CID 172711110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).