2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one

C14H24O2 — CID 23335055

IUPAC2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
SMILESC=C(OCC)C1C(=O)CC(C)(C)CC1(C)C
InChIInChI=1S/C14H24O2/c1-7-16-10(2)12-11(15)8-13(3,4)9-14(12,5)6/h12H,2,7-9H2,1,3-6H3
InChIKeyBKYWACMXPCDKMN-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds3

About 2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one

2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one (PubChem CID 23335055) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
PubChem CID23335055
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
SMILESC=C(OCC)C1C(=O)CC(C)(C)CC1(C)C
InChIInChI=1S/C14H24O2/c1-7-16-10(2)12-11(15)8-13(3,4)9-14(12,5)6/h12H,2,7-9H2,1,3-6H3
InChIKeyBKYWACMXPCDKMN-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one?
The IUPAC name of 2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one (CID 23335055) is 2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one.
What is the SMILES notation for 2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one?
The canonical SMILES for 2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one is C=C(OCC)C1C(=O)CC(C)(C)CC1(C)C.
What is the InChIKey of 2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one?
The InChIKey is BKYWACMXPCDKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-7-16-10(2)12-11(15)8-13(3,4)9-14(12,5)6/h12H,2,7-9H2,1,3-6H3.
What are the key properties of 2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one?
2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one is sourced from PubChem (CID 23335055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).