7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one

C10H12O2 — CID 20695160

IUPAC7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
SMILESC=C1C=CC(=O)C2(CCCC2)O1
InChIInChI=1S/C10H12O2/c1-8-4-5-9(11)10(12-8)6-2-3-7-10/h4-5H,1-3,6-7H2
InChIKeyQNMHUPYLGBIOHI-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.97
Rot. Bonds

About 7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one

7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one (PubChem CID 20695160) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
PubChem CID20695160
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
SMILESC=C1C=CC(=O)C2(CCCC2)O1
InChIInChI=1S/C10H12O2/c1-8-4-5-9(11)10(12-8)6-2-3-7-10/h4-5H,1-3,6-7H2
InChIKeyQNMHUPYLGBIOHI-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylidene-1-oxaspiro[5.5]undec-3-en-5-one
CID 20695159
6-Ethyl-6-methyl-4-methylidenecyclohex-2-en-1-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
CID 90961654
5-Cyclohexa-1,3-dien-1-yl-5-methyl-4-oxofuran-2-carbaldehyde
CID 91127282
2-Ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
CID 91295007
2-Methyl-1-oxaspiro[4.5]deca-2,6-dien-8-one
CID 141530491
2-Prop-1-en-2-yl-1-oxaspiro[4.4]non-2-en-4-one
CID 16120589
7-Prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one
CID 53391907
2-(Cyclohexen-1-yl)-1-oxaspiro[4.4]non-2-en-4-one
CID 101420343
(9Z)-1-oxaspiro[5.7]trideca-3,9-diene-2,5-dione
CID 101465606
1-Oxaspiro[5.6]dodeca-3,8-diene-2,5-dione
CID 101465610
6-But-3-enyl-6-pent-4-enylpyran-2,5-dione
CID 101465611
1-Oxaspiro[5.7]trideca-3,9-diene-2,5-dione
CID 131866409

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one?
The IUPAC name of 7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one (CID 20695160) is 7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one.
What is the SMILES notation for 7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one?
The canonical SMILES for 7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one is C=C1C=CC(=O)C2(CCCC2)O1.
What is the InChIKey of 7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one?
The InChIKey is QNMHUPYLGBIOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8-4-5-9(11)10(12-8)6-2-3-7-10/h4-5H,1-3,6-7H2.
What are the key properties of 7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one?
7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one has a molecular weight of 164.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 20695160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).