7-methylidene-8-oxaspiro[4.5]decan-9-one

C10H14O2 — CID 15759298

IUPAC7-methylidene-8-oxaspiro[4.5]decan-9-one
SMILESC=C1CC2(CCCC2)CC(=O)O1
InChIInChI=1S/C10H14O2/c1-8-6-10(4-2-3-5-10)7-9(11)12-8/h1-7H2
InChIKeyBCXOPQQQHCRQEU-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.40
Rot. Bonds

About 7-methylidene-8-oxaspiro[4.5]decan-9-one

7-methylidene-8-oxaspiro[4.5]decan-9-one (PubChem CID 15759298) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 7-methylidene-8-oxaspiro[4.5]decan-9-one.

Molecular Properties

Compound Name7-methylidene-8-oxaspiro[4.5]decan-9-one
PubChem CID15759298
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name7-methylidene-8-oxaspiro[4.5]decan-9-one
SMILESC=C1CC2(CCCC2)CC(=O)O1
InChIInChI=1S/C10H14O2/c1-8-6-10(4-2-3-5-10)7-9(11)12-8/h1-7H2
InChIKeyBCXOPQQQHCRQEU-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-8-oxaspiro[4.5]decan-9-one?
The IUPAC name of 7-methylidene-8-oxaspiro[4.5]decan-9-one (CID 15759298) is 7-methylidene-8-oxaspiro[4.5]decan-9-one.
What is the SMILES notation for 7-methylidene-8-oxaspiro[4.5]decan-9-one?
The canonical SMILES for 7-methylidene-8-oxaspiro[4.5]decan-9-one is C=C1CC2(CCCC2)CC(=O)O1.
What is the InChIKey of 7-methylidene-8-oxaspiro[4.5]decan-9-one?
The InChIKey is BCXOPQQQHCRQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-6-10(4-2-3-5-10)7-9(11)12-8/h1-7H2.
What are the key properties of 7-methylidene-8-oxaspiro[4.5]decan-9-one?
7-methylidene-8-oxaspiro[4.5]decan-9-one has a molecular weight of 166.22 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-8-oxaspiro[4.5]decan-9-one is sourced from PubChem (CID 15759298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).