2,3,5-trimethylcyclohept-2-en-1-one

C10H16O — CID 142093002

IUPAC2,3,5-trimethylcyclohept-2-en-1-one
SMILESCC1=C(C)C(=O)CCC(C)C1
InChIInChI=1S/C10H16O/c1-7-4-5-10(11)9(3)8(2)6-7/h7H,4-6H2,1-3H3
InChIKeyILSWBMUAXMMQHV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds

About 2,3,5-trimethylcyclohept-2-en-1-one

2,3,5-trimethylcyclohept-2-en-1-one (PubChem CID 142093002) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,3,5-trimethylcyclohept-2-en-1-one.

Molecular Properties

Compound Name2,3,5-trimethylcyclohept-2-en-1-one
PubChem CID142093002
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,3,5-trimethylcyclohept-2-en-1-one
SMILESCC1=C(C)C(=O)CCC(C)C1
InChIInChI=1S/C10H16O/c1-7-4-5-10(11)9(3)8(2)6-7/h7H,4-6H2,1-3H3
InChIKeyILSWBMUAXMMQHV-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethylcyclohexene-1-carbaldehyde
CID 23505473
ethane;3-methylcyclopentan-1-one
CID 142926670
bis(2,3-dimethylcyclopent-2-en-1-one);methane
CID 157136451
(2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one
CID 63706279
3,5-dimethylcyclohept-2-en-1-one
CID 170694473
bis(2-fluoro-1,4-dimethylcyclohexene);methane
CID 160664203
2-[(4-aminophenyl)methylidene]-4-methylcyclohexan-1-one
CID 150516448
2,3-dimethyl-5-(2-methylpropyl)cyclohex-2-en-1-one
CID 130318500
2,3,4-trimethylcyclohept-2-en-1-one
CID 154209832
2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane
CID 162015445
3-(113C)methylcyclohexan-1-one
CID 11708054
(5S)-2-(1,1,1,3,3,3-hexadeuteriopropan-2-ylidene)-5-methylcyclohexan-1-one
CID 101040791

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethylcyclohept-2-en-1-one?
The IUPAC name of 2,3,5-trimethylcyclohept-2-en-1-one (CID 142093002) is 2,3,5-trimethylcyclohept-2-en-1-one.
What is the SMILES notation for 2,3,5-trimethylcyclohept-2-en-1-one?
The canonical SMILES for 2,3,5-trimethylcyclohept-2-en-1-one is CC1=C(C)C(=O)CCC(C)C1.
What is the InChIKey of 2,3,5-trimethylcyclohept-2-en-1-one?
The InChIKey is ILSWBMUAXMMQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-4-5-10(11)9(3)8(2)6-7/h7H,4-6H2,1-3H3.
What are the key properties of 2,3,5-trimethylcyclohept-2-en-1-one?
2,3,5-trimethylcyclohept-2-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylcyclohept-2-en-1-one is sourced from PubChem (CID 142093002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).