5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one

C17H26O3 — CID 158244507

IUPAC5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC=CC(=O)C1.COC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C9H14O2.C8H12O/c1-9(2)5-7(10)4-8(6-9)11-3;1-8(2)5-3-4-7(9)6-8/h4H,5-6H2,1-3H3;3-4H,5-6H2,1-2H3
InChIKeyGFYMKQGPOHIBJE-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.84
Rot. Bonds1

About 5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one

5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 158244507) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one
PubChem CID158244507
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC=CC(=O)C1.COC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C9H14O2.C8H12O/c1-9(2)5-7(10)4-8(6-9)11-3;1-8(2)5-3-4-7(9)6-8/h4H,5-6H2,1-3H3;3-4H,5-6H2,1-2H3
InChIKeyGFYMKQGPOHIBJE-UHFFFAOYSA-N
XLogP3.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-Cyclohexen-1-one, 3-ethoxy-5,5-dimethyl-
CID 138710
2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-
CID 138318
3-Oxaspiro[5.5]undec-9-en-8-one
CID 57023690
2-Cyclohexen-1-one, 5,5-dimethyl-3-(2-methylpropoxy)-
CID 558764
2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone
CID 350892
5-(2-Methoxyethyl)-6,6-dimethylcyclohex-2-enone
CID 21580131
5-(2-Methoxyethyl)-4,4-dimethylcyclohex-2-enone
CID 21580139
3-(1',2'-Epoxypropyloxy)-5,5-dimethyl-cyclohex-2-en-1-one
CID 12454356
3-Methoxy-5-methylcyclohex-2-en-1-one
CID 12641265
3-Butoxy-5,5-dimethylcyclohex-2-en-1-one
CID 14744248
3-Methoxy-4,4-dimethyl-2-cyclohexen-I-one
CID 15738551
5,5-Dimethyl-3-oxocyclohexen-1-olate
CID 27871193

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one (CID 158244507) is 5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one is CC1(C)CC=CC(=O)C1.COC1=CC(=O)CC(C)(C)C1.
What is the InChIKey of 5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is GFYMKQGPOHIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2.C8H12O/c1-9(2)5-7(10)4-8(6-9)11-3;1-8(2)5-3-4-7(9)6-8/h4H,5-6H2,1-3H3;3-4H,5-6H2,1-2H3.
What are the key properties of 5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one?
5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 278.39 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 158244507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).