6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one

C11H16O3 — CID 567094

IUPAC6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESC=CCC1C(=O)CCCC12OCCO2
InChIInChI=1S/C11H16O3/c1-2-4-9-10(12)5-3-6-11(9)13-7-8-14-11/h2,9H,1,3-8H2
InChIKeyVFZWQEGVDLSUKC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds2

About 6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one

6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one (PubChem CID 567094) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one
PubChem CID567094
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESC=CCC1C(=O)CCCC12OCCO2
InChIInChI=1S/C11H16O3/c1-2-4-9-10(12)5-3-6-11(9)13-7-8-14-11/h2,9H,1,3-8H2
InChIKeyVFZWQEGVDLSUKC-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-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

7-Prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
CID 10878069
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]but-3-en-1-one
CID 101140095
(6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one
CID 10608520
trans-(2R,3R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-2-prop-2-enylcyclohexan-1-one
CID 10955618
trans-(2S,3S)-2-(2-but-3-enyl-1,3-dioxolan-2-yl)-3-prop-2-enylcyclopentan-1-one
CID 101790300
9-Prop-2-enyl-1,4-dioxaspiro[4.6]undecan-8-one
CID 135041189
6-Prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde
CID 11790480
1,4-Dioxadispiro[4.0.56.45]pentadec-9-en-7-one
CID 11806268
1-(1,4-Dioxaspiro[4.5]decan-8-yl)prop-2-en-1-one
CID 13615057
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one
CID 101140094
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one
CID 101140096
(6S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-one
CID 101140105

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one?
The IUPAC name of 6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one (CID 567094) is 6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for 6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for 6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one is C=CCC1C(=O)CCCC12OCCO2.
What is the InChIKey of 6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one?
The InChIKey is VFZWQEGVDLSUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-4-9-10(12)5-3-6-11(9)13-7-8-14-11/h2,9H,1,3-8H2.
What are the key properties of 6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one?
6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one has a molecular weight of 196.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 567094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).