4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione

C11H10O2 — CID 10855984

IUPAC4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCC1=CC(=O)CC12C=CC(=O)C=C2
InChIInChI=1S/C11H10O2/c1-8-6-10(13)7-11(8)4-2-9(12)3-5-11/h2-6H,7H2,1H3
InChIKeyRVNTXUDDIXEBMJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.59
Rot. Bonds

About 4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione

4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 10855984) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID10855984
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCC1=CC(=O)CC12C=CC(=O)C=C2
InChIInChI=1S/C11H10O2/c1-8-6-10(13)7-11(8)4-2-9(12)3-5-11/h2-6H,7H2,1H3
InChIKeyRVNTXUDDIXEBMJ-UHFFFAOYSA-N
XLogP1.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carvone, (+)-
CID 16724
Isophorone
CID 6544
Carvone, (+-)-
CID 7439
Carvone, (-)-
CID 439570
beta-Damascenone
CID 5366074
Ketoisophorone
CID 62374
Delta-Damascone
CID 5365916
2,5-Di-tert-butylbenzoquinone
CID 17161
tert-Butyl-1,4-benzoquinone
CID 19211
(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
CID 5366077
3,5-Di-tert-butyl-1,2-benzoquinone
CID 76915
2,6,6-Trimethyl-2-cyclohexen-1-one
CID 88332

Frequently Asked Questions

What is the IUPAC name of 4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 10855984) is 4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione is CC1=CC(=O)CC12C=CC(=O)C=C2.
What is the InChIKey of 4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is RVNTXUDDIXEBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-8-6-10(13)7-11(8)4-2-9(12)3-5-11/h2-6H,7H2,1H3.
What are the key properties of 4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione?
4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 174.20 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 10855984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).