2-(6-hydroxyhexyl)cycloprop-2-en-1-one

C9H14O2 — CID 10975707

IUPAC2-(6-hydroxyhexyl)cycloprop-2-en-1-one
SMILESO=c1cc1CCCCCCO
InChIInChI=1S/C9H14O2/c10-6-4-2-1-3-5-8-7-9(8)11/h7,10H,1-6H2
InChIKeyOWWDBUWXDWYCLX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.02
Rot. Bonds6

About 2-(6-hydroxyhexyl)cycloprop-2-en-1-one

2-(6-hydroxyhexyl)cycloprop-2-en-1-one (PubChem CID 10975707) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(6-hydroxyhexyl)cycloprop-2-en-1-one.

Molecular Properties

Compound Name2-(6-hydroxyhexyl)cycloprop-2-en-1-one
PubChem CID10975707
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(6-hydroxyhexyl)cycloprop-2-en-1-one
SMILESO=c1cc1CCCCCCO
InChIInChI=1S/C9H14O2/c10-6-4-2-1-3-5-8-7-9(8)11/h7,10H,1-6H2
InChIKeyOWWDBUWXDWYCLX-UHFFFAOYSA-N
XLogP1.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.02
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexyl)cycloprop-2-en-1-one?
The IUPAC name of 2-(6-hydroxyhexyl)cycloprop-2-en-1-one (CID 10975707) is 2-(6-hydroxyhexyl)cycloprop-2-en-1-one.
What is the SMILES notation for 2-(6-hydroxyhexyl)cycloprop-2-en-1-one?
The canonical SMILES for 2-(6-hydroxyhexyl)cycloprop-2-en-1-one is O=c1cc1CCCCCCO.
What is the InChIKey of 2-(6-hydroxyhexyl)cycloprop-2-en-1-one?
The InChIKey is OWWDBUWXDWYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-6-4-2-1-3-5-8-7-9(8)11/h7,10H,1-6H2.
What are the key properties of 2-(6-hydroxyhexyl)cycloprop-2-en-1-one?
2-(6-hydroxyhexyl)cycloprop-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexyl)cycloprop-2-en-1-one is sourced from PubChem (CID 10975707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).