2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one

C16H24O3 — CID 101420340

IUPAC2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one
SMILESO=C1C=C(CCCC2CCCCO2)OC12CCCC2
InChIInChI=1S/C16H24O3/c17-15-12-14(19-16(15)9-2-3-10-16)8-5-7-13-6-1-4-11-18-13/h12-13H,1-11H2
InChIKeyASPQGWHVZQCTCG-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.52
Rot. Bonds4

About 2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one

2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one (PubChem CID 101420340) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one.

Molecular Properties

Compound Name2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one
PubChem CID101420340
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one
SMILESO=C1C=C(CCCC2CCCCO2)OC12CCCC2
InChIInChI=1S/C16H24O3/c17-15-12-14(19-16(15)9-2-3-10-16)8-5-7-13-6-1-4-11-18-13/h12-13H,1-11H2
InChIKeyASPQGWHVZQCTCG-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(Cyclohexylmethyl)-1-oxaspiro[4.4]non-2-en-4-one
CID 101420341

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one?
The IUPAC name of 2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one (CID 101420340) is 2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one.
What is the SMILES notation for 2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one?
The canonical SMILES for 2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one is O=C1C=C(CCCC2CCCCO2)OC12CCCC2.
What is the InChIKey of 2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one?
The InChIKey is ASPQGWHVZQCTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c17-15-12-14(19-16(15)9-2-3-10-16)8-5-7-13-6-1-4-11-18-13/h12-13H,1-11H2.
What are the key properties of 2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one?
2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one has a molecular weight of 264.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-2-yl)propyl]-1-oxaspiro[4.4]non-2-en-4-one is sourced from PubChem (CID 101420340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).