4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one

C12H18O2 — CID 15073434

IUPAC4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one
SMILESCC1=C(C)CC2(CC1)OC(=O)CC2C
InChIInChI=1S/C12H18O2/c1-8-4-5-12(7-9(8)2)10(3)6-11(13)14-12/h10H,4-7H2,1-3H3
InChIKeyUTPLKCZCOBZEIG-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds

About 4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one

4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one (PubChem CID 15073434) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one.

Molecular Properties

Compound Name4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one
PubChem CID15073434
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one
SMILESCC1=C(C)CC2(CC1)OC(=O)CC2C
InChIInChI=1S/C12H18O2/c1-8-4-5-12(7-9(8)2)10(3)6-11(13)14-12/h10H,4-7H2,1-3H3
InChIKeyUTPLKCZCOBZEIG-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 535523
8-butyl-4-methyl-1-oxaspiro[4.5]decan-2-one
CID 139533961
4,5,5,6,6-pentamethyloxan-2-one
CID 134335471
methane;1,2,4,4-tetramethylcyclohexene
CID 153358945
4,5-dimethyl-5-(2-methylprop-1-enyl)oxolan-2-one
CID 539051
(4S,5R)-5-ethynyl-4,5-dimethyloxolan-2-one
CID 143325335
5,6,6-trimethyloxan-2-one
CID 20872380
9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one
CID 122470158
(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11679968
(1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid
CID 130705827
4,4,5-trimethylcyclohexane-1,2-dione
CID 130029950
methyl 2-[(4R,5S,7R,8R)-8-acetyl-4-methyl-2-oxo-1-oxaspiro[4.4]nonan-7-yl]acetate
CID 15330805

Frequently Asked Questions

What is the IUPAC name of 4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one?
The IUPAC name of 4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one (CID 15073434) is 4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one.
What is the SMILES notation for 4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one?
The canonical SMILES for 4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one is CC1=C(C)CC2(CC1)OC(=O)CC2C.
What is the InChIKey of 4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one?
The InChIKey is UTPLKCZCOBZEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8-4-5-12(7-9(8)2)10(3)6-11(13)14-12/h10H,4-7H2,1-3H3.
What are the key properties of 4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one?
4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one has a molecular weight of 194.27 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one is sourced from PubChem (CID 15073434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).