4-(4-hydroxycyclohexyl)cyclohexan-1-one

C12H20O2 — CID 10198069

IUPAC4-(4-hydroxycyclohexyl)cyclohexan-1-one
SMILESO=C1CCC(C2CCC(O)CC2)CC1
InChIInChI=1S/C12H20O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-11,13H,1-8H2
InChIKeyRHBYPVNVDQMSFG-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.30
Rot. Bonds1

About 4-(4-hydroxycyclohexyl)cyclohexan-1-one

4-(4-hydroxycyclohexyl)cyclohexan-1-one (PubChem CID 10198069) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(4-hydroxycyclohexyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-hydroxycyclohexyl)cyclohexan-1-one
PubChem CID10198069
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-(4-hydroxycyclohexyl)cyclohexan-1-one
SMILESO=C1CCC(C2CCC(O)CC2)CC1
InChIInChI=1S/C12H20O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-11,13H,1-8H2
InChIKeyRHBYPVNVDQMSFG-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxycyclohexyl)cyclohexan-1-one?
The IUPAC name of 4-(4-hydroxycyclohexyl)cyclohexan-1-one (CID 10198069) is 4-(4-hydroxycyclohexyl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-hydroxycyclohexyl)cyclohexan-1-one?
The canonical SMILES for 4-(4-hydroxycyclohexyl)cyclohexan-1-one is O=C1CCC(C2CCC(O)CC2)CC1.
What is the InChIKey of 4-(4-hydroxycyclohexyl)cyclohexan-1-one?
The InChIKey is RHBYPVNVDQMSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-11,13H,1-8H2.
What are the key properties of 4-(4-hydroxycyclohexyl)cyclohexan-1-one?
4-(4-hydroxycyclohexyl)cyclohexan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxycyclohexyl)cyclohexan-1-one is sourced from PubChem (CID 10198069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).