7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one

C11H16O3 — CID 10878069

IUPAC7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESC=CCC1CC2(CCC1=O)OCCO2
InChIInChI=1S/C11H16O3/c1-2-3-9-8-11(5-4-10(9)12)13-6-7-14-11/h2,9H,1,3-8H2
InChIKeySIDLEFTVDQLAHC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds2

About 7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one

7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 10878069) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID10878069
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESC=CCC1CC2(CCC1=O)OCCO2
InChIInChI=1S/C11H16O3/c1-2-3-9-8-11(5-4-10(9)12)13-6-7-14-11/h2,9H,1,3-8H2
InChIKeySIDLEFTVDQLAHC-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'}

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Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of 7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one (CID 10878069) is 7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for 7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for 7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one is C=CCC1CC2(CCC1=O)OCCO2.
What is the InChIKey of 7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is SIDLEFTVDQLAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-3-9-8-11(5-4-10(9)12)13-6-7-14-11/h2,9H,1,3-8H2.
What are the key properties of 7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one?
7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-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 7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 10878069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).