5,5-dimethylcyclohept-2-en-1-one

C9H14O — CID 14809655

IUPAC5,5-dimethylcyclohept-2-en-1-one
SMILESCC1(C)CC=CC(=O)CC1
InChIInChI=1S/C9H14O/c1-9(2)6-3-4-8(10)5-7-9/h3-4H,5-7H2,1-2H3
InChIKeyWFPYTWOJEKTLSR-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds

About 5,5-dimethylcyclohept-2-en-1-one

5,5-dimethylcyclohept-2-en-1-one (PubChem CID 14809655) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5,5-dimethylcyclohept-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethylcyclohept-2-en-1-one
PubChem CID14809655
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5,5-dimethylcyclohept-2-en-1-one
SMILESCC1(C)CC=CC(=O)CC1
InChIInChI=1S/C9H14O/c1-9(2)6-3-4-8(10)5-7-9/h3-4H,5-7H2,1-2H3
InChIKeyWFPYTWOJEKTLSR-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-hydroxy-5-methylcyclohex-2-en-1-one
CID 89287800
2,2-dimethyl-3,4-dihydro-1H-azepin-5-one
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2,2-dimethyl-3H-oxepin-6-one
CID 101200741
5,5-dimethyl-3-methylidenecyclohexene
CID 13354246
4-methyl-4-propan-2-ylcyclohex-2-en-1-one
CID 71303376
4,4,7,7-tetramethylcyclononan-1-one
CID 21241719
6,6-dimethylcyclohept-2-ene-1,4-dione
CID 70336025
(4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
CID 14143533
4,4-dimethoxycyclohex-2-en-1-one
CID 134922373
1-fluoro-4,4-dimethylcyclohexene
CID 89381329
5-methyl-5-(4-methylpent-3-enyl)cyclohex-2-en-1-one
CID 11194863
4a,8,8-trimethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
CID 14759141

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylcyclohept-2-en-1-one?
The IUPAC name of 5,5-dimethylcyclohept-2-en-1-one (CID 14809655) is 5,5-dimethylcyclohept-2-en-1-one.
What is the SMILES notation for 5,5-dimethylcyclohept-2-en-1-one?
The canonical SMILES for 5,5-dimethylcyclohept-2-en-1-one is CC1(C)CC=CC(=O)CC1.
What is the InChIKey of 5,5-dimethylcyclohept-2-en-1-one?
The InChIKey is WFPYTWOJEKTLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)5-7-9/h3-4H,5-7H2,1-2H3.
What are the key properties of 5,5-dimethylcyclohept-2-en-1-one?
5,5-dimethylcyclohept-2-en-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclohept-2-en-1-one is sourced from PubChem (CID 14809655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).