1-ethyl-4-[(E)-pent-1-enoxy]benzene

C13H18O — CID 89304305

IUPAC1-ethyl-4-[(E)-pent-1-enoxy]benzene
SMILESCCC/C=C/Oc1ccc(CC)cc1
InChIInChI=1S/C13H18O/c1-3-5-6-11-14-13-9-7-12(4-2)8-10-13/h6-11H,3-5H2,1-2H3/b11-6+
InChIKeyQJIXDZHPPVQSLM-IZZDOVSWSA-N
MW190.29 g/mol
LogP3.94
Rot. Bonds5

About 1-ethyl-4-[(E)-pent-1-enoxy]benzene

1-ethyl-4-[(E)-pent-1-enoxy]benzene (PubChem CID 89304305) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-pent-1-enoxy]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(E)-pent-1-enoxy]benzene
PubChem CID89304305
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-ethyl-4-[(E)-pent-1-enoxy]benzene
SMILESCCC/C=C/Oc1ccc(CC)cc1
InChIInChI=1S/C13H18O/c1-3-5-6-11-14-13-9-7-12(4-2)8-10-13/h6-11H,3-5H2,1-2H3/b11-6+
InChIKeyQJIXDZHPPVQSLM-IZZDOVSWSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.94
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

1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene
CID 22991130
4-pent-1-enoxybenzoyl chloride
CID 139792232
4-(4-pent-1-enoxyphenyl)benzoic acid
CID 57036300
1-prop-1-enoxy-4-propylbenzene
CID 172744984
[4-(4-ethylphenyl)phenyl] formate
CID 1393715
5-heptyl-2-(4-non-1-enoxyphenyl)pyrimidine
CID 70270301
5-nonyl-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine
CID 19743414
5-[4-(2-methylbutyl)phenyl]-2-(4-oct-1-enoxyphenyl)pyrimidine
CID 67948561
1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene
CID 58460828
octa-1,6-dienoxybenzene
CID 66617276
1-ethyl-4-[(E)-pent-2-enoxy]benzene
CID 152800544
1-ethyl-4-(4-iodophenoxy)benzene
CID 118066756

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-pent-1-enoxy]benzene?
The IUPAC name of 1-ethyl-4-[(E)-pent-1-enoxy]benzene (CID 89304305) is 1-ethyl-4-[(E)-pent-1-enoxy]benzene.
What is the SMILES notation for 1-ethyl-4-[(E)-pent-1-enoxy]benzene?
The canonical SMILES for 1-ethyl-4-[(E)-pent-1-enoxy]benzene is CCC/C=C/Oc1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-[(E)-pent-1-enoxy]benzene?
The InChIKey is QJIXDZHPPVQSLM-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H18O/c1-3-5-6-11-14-13-9-7-12(4-2)8-10-13/h6-11H,3-5H2,1-2H3/b11-6+.
What are the key properties of 1-ethyl-4-[(E)-pent-1-enoxy]benzene?
1-ethyl-4-[(E)-pent-1-enoxy]benzene has a molecular weight of 190.29 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-pent-1-enoxy]benzene is sourced from PubChem (CID 89304305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).