1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene

C19H30O2 — CID 173339964

IUPAC1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene
SMILESCCCC/C=C/c1ccc(OCOCCCCCC)cc1
InChIInChI=1S/C19H30O2/c1-3-5-7-9-11-18-12-14-19(15-13-18)21-17-20-16-10-8-6-4-2/h9,11-15H,3-8,10,16-17H2,1-2H3/b11-9+
InChIKeyKGQLTTKXHCUHRF-PKNBQFBNSA-N
MW290.45 g/mol
LogP5.82
Rot. Bonds12

About 1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene

1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene (PubChem CID 173339964) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene.

Molecular Properties

Compound Name1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene
PubChem CID173339964
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene
SMILESCCCC/C=C/c1ccc(OCOCCCCCC)cc1
InChIInChI=1S/C19H30O2/c1-3-5-7-9-11-18-12-14-19(15-13-18)21-17-20-16-10-8-6-4-2/h9,11-15H,3-8,10,16-17H2,1-2H3/b11-9+
InChIKeyKGQLTTKXHCUHRF-PKNBQFBNSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine
CID 169474720
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
hexatriacontoxymethoxybenzene
CID 21131247
nonoxymethoxybenzene
CID 151123684
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
trimethyl-[4-[(E)-non-1-enyl]phenoxy]silane
CID 101261790
4-icosoxybenzaldehyde
CID 23127488
5-decoxy-2-[4-[(E)-hept-1-enyl]phenyl]pyrimidine
CID 15452351
1-oxido-4-[(E)-2-(4-undecoxyphenyl)ethenyl]pyridin-1-ium
CID 100920114
(2E)-2-[[4-(dodecoxymethoxy)phenyl]methylidene]but-3-ynoic acid
CID 153284826

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene?
The IUPAC name of 1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene (CID 173339964) is 1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene.
What is the SMILES notation for 1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene?
The canonical SMILES for 1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene is CCCC/C=C/c1ccc(OCOCCCCCC)cc1.
What is the InChIKey of 1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene?
The InChIKey is KGQLTTKXHCUHRF-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H30O2/c1-3-5-7-9-11-18-12-14-19(15-13-18)21-17-20-16-10-8-6-4-2/h9,11-15H,3-8,10,16-17H2,1-2H3/b11-9+.
What are the key properties of 1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene?
1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene has a molecular weight of 290.45 g/mol, XLogP of 5.82, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene is sourced from PubChem (CID 173339964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).