1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene

C19H28O — CID 155674738

IUPAC1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene
SMILESCC(=COC(C)C1CCCC(C)(C)C1)c1ccccc1
InChIInChI=1S/C19H28O/c1-15(17-9-6-5-7-10-17)14-20-16(2)18-11-8-12-19(3,4)13-18/h5-7,9-10,14,16,18H,8,11-13H2,1-4H3
InChIKeyWWONPZWJTLFYGW-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.67
Rot. Bonds4

About 1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene

1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene (PubChem CID 155674738) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene
PubChem CID155674738
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene
SMILESCC(=COC(C)C1CCCC(C)(C)C1)c1ccccc1
InChIInChI=1S/C19H28O/c1-15(17-9-6-5-7-10-17)14-20-16(2)18-11-8-12-19(3,4)13-18/h5-7,9-10,14,16,18H,8,11-13H2,1-4H3
InChIKeyWWONPZWJTLFYGW-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene?
The IUPAC name of 1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene (CID 155674738) is 1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene?
The canonical SMILES for 1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene is CC(=COC(C)C1CCCC(C)(C)C1)c1ccccc1.
What is the InChIKey of 1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene?
The InChIKey is WWONPZWJTLFYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-15(17-9-6-5-7-10-17)14-20-16(2)18-11-8-12-19(3,4)13-18/h5-7,9-10,14,16,18H,8,11-13H2,1-4H3.
What are the key properties of 1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene?
1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene has a molecular weight of 272.43 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-dimethylcyclohexyl)ethoxy]prop-1-en-2-ylbenzene is sourced from PubChem (CID 155674738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).