3-(3-hydroxycyclohexyl)cycloheptan-1-ol

C13H24O2 — CID 129132382

IUPAC3-(3-hydroxycyclohexyl)cycloheptan-1-ol
SMILESOC1CCCCC(C2CCCC(O)C2)C1
InChIInChI=1S/C13H24O2/c14-12-6-2-1-4-10(8-12)11-5-3-7-13(15)9-11/h10-15H,1-9H2
InChIKeyKMMCEACFJZCMTI-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.48
Rot. Bonds1

About 3-(3-hydroxycyclohexyl)cycloheptan-1-ol

3-(3-hydroxycyclohexyl)cycloheptan-1-ol (PubChem CID 129132382) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-(3-hydroxycyclohexyl)cycloheptan-1-ol.

Molecular Properties

Compound Name3-(3-hydroxycyclohexyl)cycloheptan-1-ol
PubChem CID129132382
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-(3-hydroxycyclohexyl)cycloheptan-1-ol
SMILESOC1CCCCC(C2CCCC(O)C2)C1
InChIInChI=1S/C13H24O2/c14-12-6-2-1-4-10(8-12)11-5-3-7-13(15)9-11/h10-15H,1-9H2
InChIKeyKMMCEACFJZCMTI-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxycyclohexyl)cycloheptan-1-ol?
The IUPAC name of 3-(3-hydroxycyclohexyl)cycloheptan-1-ol (CID 129132382) is 3-(3-hydroxycyclohexyl)cycloheptan-1-ol.
What is the SMILES notation for 3-(3-hydroxycyclohexyl)cycloheptan-1-ol?
The canonical SMILES for 3-(3-hydroxycyclohexyl)cycloheptan-1-ol is OC1CCCCC(C2CCCC(O)C2)C1.
What is the InChIKey of 3-(3-hydroxycyclohexyl)cycloheptan-1-ol?
The InChIKey is KMMCEACFJZCMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c14-12-6-2-1-4-10(8-12)11-5-3-7-13(15)9-11/h10-15H,1-9H2.
What are the key properties of 3-(3-hydroxycyclohexyl)cycloheptan-1-ol?
3-(3-hydroxycyclohexyl)cycloheptan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxycyclohexyl)cycloheptan-1-ol is sourced from PubChem (CID 129132382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).