(1E)-1-(oxolan-2-ylidene)hexan-2-one

C10H16O2 — CID 10855887

IUPAC(1E)-1-(oxolan-2-ylidene)hexan-2-one
SMILESCCCCC(=O)/C=C1\CCCO1
InChIInChI=1S/C10H16O2/c1-2-3-5-9(11)8-10-6-4-7-12-10/h8H,2-7H2,1H3/b10-8+
InChIKeyIZJAYTIWAVIGTR-CSKARUKUSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds4

About (1E)-1-(oxolan-2-ylidene)hexan-2-one

(1E)-1-(oxolan-2-ylidene)hexan-2-one (PubChem CID 10855887) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1E)-1-(oxolan-2-ylidene)hexan-2-one.

Molecular Properties

Compound Name(1E)-1-(oxolan-2-ylidene)hexan-2-one
PubChem CID10855887
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1E)-1-(oxolan-2-ylidene)hexan-2-one
SMILESCCCCC(=O)/C=C1\CCCO1
InChIInChI=1S/C10H16O2/c1-2-3-5-9(11)8-10-6-4-7-12-10/h8H,2-7H2,1H3/b10-8+
InChIKeyIZJAYTIWAVIGTR-CSKARUKUSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (1E)-1-(oxolan-2-ylidene)hexan-2-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 (1E)-1-(oxolan-2-ylidene)hexan-2-one?
The IUPAC name of (1E)-1-(oxolan-2-ylidene)hexan-2-one (CID 10855887) is (1E)-1-(oxolan-2-ylidene)hexan-2-one.
What is the SMILES notation for (1E)-1-(oxolan-2-ylidene)hexan-2-one?
The canonical SMILES for (1E)-1-(oxolan-2-ylidene)hexan-2-one is CCCCC(=O)/C=C1\CCCO1.
What is the InChIKey of (1E)-1-(oxolan-2-ylidene)hexan-2-one?
The InChIKey is IZJAYTIWAVIGTR-CSKARUKUSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-5-9(11)8-10-6-4-7-12-10/h8H,2-7H2,1H3/b10-8+.
What are the key properties of (1E)-1-(oxolan-2-ylidene)hexan-2-one?
(1E)-1-(oxolan-2-ylidene)hexan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(oxolan-2-ylidene)hexan-2-one is sourced from PubChem (CID 10855887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).