2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one

C13H22O2 — CID 79429302

IUPAC2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CC1(O)CCCCC1
InChIInChI=1S/C13H22O2/c14-12-7-3-2-6-11(12)10-13(15)8-4-1-5-9-13/h11,15H,1-10H2
InChIKeyFORIRZJAQUYPEL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.83
Rot. Bonds2

About 2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one

2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one (PubChem CID 79429302) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one
PubChem CID79429302
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CC1(O)CCCCC1
InChIInChI=1S/C13H22O2/c14-12-7-3-2-6-11(12)10-13(15)8-4-1-5-9-13/h11,15H,1-10H2
InChIKeyFORIRZJAQUYPEL-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one (CID 79429302) is 2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one is O=C1CCCCC1CC1(O)CCCCC1.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one?
The InChIKey is FORIRZJAQUYPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-12-7-3-2-6-11(12)10-13(15)8-4-1-5-9-13/h11,15H,1-10H2.
What are the key properties of 2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one?
2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one has a molecular weight of 210.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 79429302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).