2-cyclohexyloxycyclohexan-1-ol

C12H21O2+ — CID 59475336

IUPAC2-cyclohexyloxycyclohexan-1-ol
SMILESOC1CCCCC1OC1[CH+]CCCC1
InChIInChI=1S/C12H21O2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h6,10-13H,1-5,7-9H2/q+1
InChIKeyOUGAAMIFSQTESQ-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.45
Rot. Bonds2

About 2-cyclohexyloxycyclohexan-1-ol

2-cyclohexyloxycyclohexan-1-ol (PubChem CID 59475336) has the molecular formula C12H21O2+ and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-cyclohexyloxycyclohexan-1-ol.

Molecular Properties

Compound Name2-cyclohexyloxycyclohexan-1-ol
PubChem CID59475336
Molecular FormulaC12H21O2+
Molecular Weight197.30 g/mol
Exact Mass197.15
IUPAC Name2-cyclohexyloxycyclohexan-1-ol
SMILESOC1CCCCC1OC1[CH+]CCCC1
InChIInChI=1S/C12H21O2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h6,10-13H,1-5,7-9H2/q+1
InChIKeyOUGAAMIFSQTESQ-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxycyclohexan-1-ol?
The IUPAC name of 2-cyclohexyloxycyclohexan-1-ol (CID 59475336) is 2-cyclohexyloxycyclohexan-1-ol.
What is the SMILES notation for 2-cyclohexyloxycyclohexan-1-ol?
The canonical SMILES for 2-cyclohexyloxycyclohexan-1-ol is OC1CCCCC1OC1[CH+]CCCC1.
What is the InChIKey of 2-cyclohexyloxycyclohexan-1-ol?
The InChIKey is OUGAAMIFSQTESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h6,10-13H,1-5,7-9H2/q+1.
What are the key properties of 2-cyclohexyloxycyclohexan-1-ol?
2-cyclohexyloxycyclohexan-1-ol has a molecular weight of 197.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxycyclohexan-1-ol is sourced from PubChem (CID 59475336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).