2-(1-hydroxyprop-2-enyl)cyclooctan-1-one

C11H18O2 — CID 130122100

IUPAC2-(1-hydroxyprop-2-enyl)cyclooctan-1-one
SMILESC=CC(O)C1CCCCCCC1=O
InChIInChI=1S/C11H18O2/c1-2-10(12)9-7-5-3-4-6-8-11(9)13/h2,9-10,12H,1,3-8H2
InChIKeyOZURMLVLACBFAT-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.07
Rot. Bonds2

About 2-(1-hydroxyprop-2-enyl)cyclooctan-1-one

2-(1-hydroxyprop-2-enyl)cyclooctan-1-one (PubChem CID 130122100) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(1-hydroxyprop-2-enyl)cyclooctan-1-one.

Molecular Properties

Compound Name2-(1-hydroxyprop-2-enyl)cyclooctan-1-one
PubChem CID130122100
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(1-hydroxyprop-2-enyl)cyclooctan-1-one
SMILESC=CC(O)C1CCCCCCC1=O
InChIInChI=1S/C11H18O2/c1-2-10(12)9-7-5-3-4-6-8-11(9)13/h2,9-10,12H,1,3-8H2
InChIKeyOZURMLVLACBFAT-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyprop-2-enyl)cyclooctan-1-one?
The IUPAC name of 2-(1-hydroxyprop-2-enyl)cyclooctan-1-one (CID 130122100) is 2-(1-hydroxyprop-2-enyl)cyclooctan-1-one.
What is the SMILES notation for 2-(1-hydroxyprop-2-enyl)cyclooctan-1-one?
The canonical SMILES for 2-(1-hydroxyprop-2-enyl)cyclooctan-1-one is C=CC(O)C1CCCCCCC1=O.
What is the InChIKey of 2-(1-hydroxyprop-2-enyl)cyclooctan-1-one?
The InChIKey is OZURMLVLACBFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-10(12)9-7-5-3-4-6-8-11(9)13/h2,9-10,12H,1,3-8H2.
What are the key properties of 2-(1-hydroxyprop-2-enyl)cyclooctan-1-one?
2-(1-hydroxyprop-2-enyl)cyclooctan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyprop-2-enyl)cyclooctan-1-one is sourced from PubChem (CID 130122100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).