4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione

C11H14O3 — CID 143091913

IUPAC4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione
SMILESCC1CCOC2(C=CCCC2=O)C1=O
InChIInChI=1S/C11H14O3/c1-8-5-7-14-11(10(8)13)6-3-2-4-9(11)12/h3,6,8H,2,4-5,7H2,1H3
InChIKeyHVKDCKRVJWQSEB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.27
Rot. Bonds

About 4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione

4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione (PubChem CID 143091913) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione.

Molecular Properties

Compound Name4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione
PubChem CID143091913
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione
SMILESCC1CCOC2(C=CCCC2=O)C1=O
InChIInChI=1S/C11H14O3/c1-8-5-7-14-11(10(8)13)6-3-2-4-9(11)12/h3,6,8H,2,4-5,7H2,1H3
InChIKeyHVKDCKRVJWQSEB-UHFFFAOYSA-N
XLogP1.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Oxocyclonerolidol
CID 13919629
(6S)-2,2-dimethyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]oxan-3-one
CID 102582076
(2R,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one
CID 163033127
1-Methoxybicyclo[3.2.2]non-6-en-2-one
CID 13378430
1,5,7-Trimethyl-8-oxabicyclo[3.2.1]oct-6-en-2-one
CID 86018488
6-Ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-one
CID 13919628
(1R,5R)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
CID 59445918
(1R*,5S*)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
CID 67523953
1-Methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
CID 67532567
1-Methoxybicyclo[3.2.2]non-6-en-2,4-dione
CID 68487175
2-Methyl-1-oxaspiro[3.5]non-8-ene-3,5-dione
CID 143091909
(5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
CID 143816398

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione?
The IUPAC name of 4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione (CID 143091913) is 4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione.
What is the SMILES notation for 4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione?
The canonical SMILES for 4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione is CC1CCOC2(C=CCCC2=O)C1=O.
What is the InChIKey of 4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione?
The InChIKey is HVKDCKRVJWQSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-5-7-14-11(10(8)13)6-3-2-4-9(11)12/h3,6,8H,2,4-5,7H2,1H3.
What are the key properties of 4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione?
4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione has a molecular weight of 194.23 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxaspiro[5.5]undec-7-ene-5,11-dione is sourced from PubChem (CID 143091913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).