[(E)-5-ethoxy-4-methylpent-4-enyl]benzene

C14H20O — CID 100997277

IUPAC[(E)-5-ethoxy-4-methylpent-4-enyl]benzene
SMILESCCO/C=C(\C)CCCc1ccccc1
InChIInChI=1S/C14H20O/c1-3-15-12-13(2)8-7-11-14-9-5-4-6-10-14/h4-6,9-10,12H,3,7-8,11H2,1-2H3/b13-12+
InChIKeyXESQJSMQFMOOOX-OUKQBFOZSA-N
MW204.31 g/mol
LogP3.95
Rot. Bonds6

About [(E)-5-ethoxy-4-methylpent-4-enyl]benzene

[(E)-5-ethoxy-4-methylpent-4-enyl]benzene (PubChem CID 100997277) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is [(E)-5-ethoxy-4-methylpent-4-enyl]benzene.

Molecular Properties

Compound Name[(E)-5-ethoxy-4-methylpent-4-enyl]benzene
PubChem CID100997277
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name[(E)-5-ethoxy-4-methylpent-4-enyl]benzene
SMILESCCO/C=C(\C)CCCc1ccccc1
InChIInChI=1S/C14H20O/c1-3-15-12-13(2)8-7-11-14-9-5-4-6-10-14/h4-6,9-10,12H,3,7-8,11H2,1-2H3/b13-12+
InChIKeyXESQJSMQFMOOOX-OUKQBFOZSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.95
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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Related Compounds

5-phenylpentan-2-one
CID 16701
1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol
CID 56984484
benzyl 3-ethoxy-2-methylprop-2-enoate
CID 70625989
4-methyl-7-phenylhept-4-en-1-ol
CID 71353866
[(E)-2-methylundec-1-enyl] 2-phenylacetate
CID 70223383
butylbenzene;hydroxylamine
CID 175142403
hexylbenzene;hydrogen peroxide
CID 90001206
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
4-phenylbutylbenzene
CID 141301927
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
2-benzyl-3-ethoxyprop-2-enenitrile
CID 54191127

Frequently Asked Questions

What is the IUPAC name of [(E)-5-ethoxy-4-methylpent-4-enyl]benzene?
The IUPAC name of [(E)-5-ethoxy-4-methylpent-4-enyl]benzene (CID 100997277) is [(E)-5-ethoxy-4-methylpent-4-enyl]benzene.
What is the SMILES notation for [(E)-5-ethoxy-4-methylpent-4-enyl]benzene?
The canonical SMILES for [(E)-5-ethoxy-4-methylpent-4-enyl]benzene is CCO/C=C(\C)CCCc1ccccc1.
What is the InChIKey of [(E)-5-ethoxy-4-methylpent-4-enyl]benzene?
The InChIKey is XESQJSMQFMOOOX-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H20O/c1-3-15-12-13(2)8-7-11-14-9-5-4-6-10-14/h4-6,9-10,12H,3,7-8,11H2,1-2H3/b13-12+.
What are the key properties of [(E)-5-ethoxy-4-methylpent-4-enyl]benzene?
[(E)-5-ethoxy-4-methylpent-4-enyl]benzene has a molecular weight of 204.31 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-ethoxy-4-methylpent-4-enyl]benzene is sourced from PubChem (CID 100997277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).