5-hydroxy-2-methylcycloheptan-1-one

C8H14O2 — CID 20517423

IUPAC5-hydroxy-2-methylcycloheptan-1-one
SMILESCC1CCC(O)CCC1=O
InChIInChI=1S/C8H14O2/c1-6-2-3-7(9)4-5-8(6)10/h6-7,9H,2-5H2,1H3
InChIKeyZXRNRVDNSWCLKA-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds

About 5-hydroxy-2-methylcycloheptan-1-one

5-hydroxy-2-methylcycloheptan-1-one (PubChem CID 20517423) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-hydroxy-2-methylcycloheptan-1-one.

Molecular Properties

Compound Name5-hydroxy-2-methylcycloheptan-1-one
PubChem CID20517423
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-hydroxy-2-methylcycloheptan-1-one
SMILESCC1CCC(O)CCC1=O
InChIInChI=1S/C8H14O2/c1-6-2-3-7(9)4-5-8(6)10/h6-7,9H,2-5H2,1H3
InChIKeyZXRNRVDNSWCLKA-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-hydroxy-2-methylcycloheptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylcycloheptan-1-one?
The IUPAC name of 5-hydroxy-2-methylcycloheptan-1-one (CID 20517423) is 5-hydroxy-2-methylcycloheptan-1-one.
What is the SMILES notation for 5-hydroxy-2-methylcycloheptan-1-one?
The canonical SMILES for 5-hydroxy-2-methylcycloheptan-1-one is CC1CCC(O)CCC1=O.
What is the InChIKey of 5-hydroxy-2-methylcycloheptan-1-one?
The InChIKey is ZXRNRVDNSWCLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-2-3-7(9)4-5-8(6)10/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-hydroxy-2-methylcycloheptan-1-one?
5-hydroxy-2-methylcycloheptan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylcycloheptan-1-one is sourced from PubChem (CID 20517423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).