4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one

C13H22O2 — CID 142762272

IUPAC4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
SMILESC=C(OC)C1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C13H22O2/c1-9(15-6)11-12(2,3)7-10(14)8-13(11,4)5/h11H,1,7-8H2,2-6H3
InChIKeyYSQXQZWCWSBCJH-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.18
Rot. Bonds2

About 4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one

4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one (PubChem CID 142762272) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one.

Molecular Properties

Compound Name4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
PubChem CID142762272
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
SMILESC=C(OC)C1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C13H22O2/c1-9(15-6)11-12(2,3)7-10(14)8-13(11,4)5/h11H,1,7-8H2,2-6H3
InChIKeyYSQXQZWCWSBCJH-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(1-Ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone
CID 118292
5-(1-Methoxyvinyl)-3,3-dimethylcyclohexanone
CID 24972428
6-Methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one
CID 11298498
Methyl 2,2,6-trimethyl-3-methylidenecyclohexane-1-carboxylate
CID 19896083
4-(1-Ethoxyethenyl)-2,2,3,3-tetramethylcyclohexan-1-one
CID 23079630
2-(1-Ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
CID 23335055
9-(1-Methoxyethenyl)spiro[4.5]decan-10-one
CID 67991708
2-(1-Ethoxyethenyl)-2,3,3,4-tetramethylcyclohexan-1-one
CID 68569907
2-Acetyl-4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
CID 91393693
4-(1-Ethoxyethenyl)-2,2,6,6-tetramethylcyclohexan-1-one
CID 91505396
2-(1-Ethoxyethenyl)-4,4,5,5-tetramethylcyclohexan-1-one
CID 117721568
4-(1-Methoxyethenyl)cyclohexan-1-one
CID 123611307

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one?
The IUPAC name of 4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one (CID 142762272) is 4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one.
What is the SMILES notation for 4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one?
The canonical SMILES for 4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one is C=C(OC)C1C(C)(C)CC(=O)CC1(C)C.
What is the InChIKey of 4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one?
The InChIKey is YSQXQZWCWSBCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(15-6)11-12(2,3)7-10(14)8-13(11,4)5/h11H,1,7-8H2,2-6H3.
What are the key properties of 4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one?
4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one has a molecular weight of 210.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one is sourced from PubChem (CID 142762272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).