2-(1-hydroxyheptyl)cyclopentan-1-one

C12H22O2 — CID 11008912

IUPAC2-(1-hydroxyheptyl)cyclopentan-1-one
SMILESCCCCCCC(O)C1CCCC1=O
InChIInChI=1S/C12H22O2/c1-2-3-4-5-8-11(13)10-7-6-9-12(10)14/h10-11,13H,2-9H2,1H3
InChIKeyVZAPPURGJHNQTF-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.69
Rot. Bonds6

About 2-(1-hydroxyheptyl)cyclopentan-1-one

2-(1-hydroxyheptyl)cyclopentan-1-one (PubChem CID 11008912) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(1-hydroxyheptyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1-hydroxyheptyl)cyclopentan-1-one
PubChem CID11008912
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(1-hydroxyheptyl)cyclopentan-1-one
SMILESCCCCCCC(O)C1CCCC1=O
InChIInChI=1S/C12H22O2/c1-2-3-4-5-8-11(13)10-7-6-9-12(10)14/h10-11,13H,2-9H2,1H3
InChIKeyVZAPPURGJHNQTF-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyheptyl)cyclopentan-1-one?
The IUPAC name of 2-(1-hydroxyheptyl)cyclopentan-1-one (CID 11008912) is 2-(1-hydroxyheptyl)cyclopentan-1-one.
What is the SMILES notation for 2-(1-hydroxyheptyl)cyclopentan-1-one?
The canonical SMILES for 2-(1-hydroxyheptyl)cyclopentan-1-one is CCCCCCC(O)C1CCCC1=O.
What is the InChIKey of 2-(1-hydroxyheptyl)cyclopentan-1-one?
The InChIKey is VZAPPURGJHNQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-4-5-8-11(13)10-7-6-9-12(10)14/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(1-hydroxyheptyl)cyclopentan-1-one?
2-(1-hydroxyheptyl)cyclopentan-1-one has a molecular weight of 198.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyheptyl)cyclopentan-1-one is sourced from PubChem (CID 11008912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).