7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one

C9H10O3 — CID 20695161

IUPAC7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one
SMILESC=C1C=CC(=O)C2(CCCO2)O1
InChIInChI=1S/C9H10O3/c1-7-3-4-8(10)9(12-7)5-2-6-11-9/h3-4H,1-2,5-6H2
InChIKeyBKDWKIHCPAEMGU-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.16
Rot. Bonds

About 7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one

7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one (PubChem CID 20695161) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one
PubChem CID20695161
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one
SMILESC=C1C=CC(=O)C2(CCCO2)O1
InChIInChI=1S/C9H10O3/c1-7-3-4-8(10)9(12-7)5-2-6-11-9/h3-4H,1-2,5-6H2
InChIKeyBKDWKIHCPAEMGU-UHFFFAOYSA-N
XLogP1.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one?
The IUPAC name of 7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one (CID 20695161) is 7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one.
What is the SMILES notation for 7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one?
The canonical SMILES for 7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one is C=C1C=CC(=O)C2(CCCO2)O1.
What is the InChIKey of 7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one?
The InChIKey is BKDWKIHCPAEMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-7-3-4-8(10)9(12-7)5-2-6-11-9/h3-4H,1-2,5-6H2.
What are the key properties of 7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one?
7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one has a molecular weight of 166.18 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 20695161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).