1-hexoxy-4-[(E)-pent-1-enyl]benzene

C17H26O — CID 173201966

IUPAC1-hexoxy-4-[(E)-pent-1-enyl]benzene
SMILESCCC/C=C/c1ccc(OCCCCCC)cc1
InChIInChI=1S/C17H26O/c1-3-5-7-9-15-18-17-13-11-16(12-14-17)10-8-6-4-2/h8,10-14H,3-7,9,15H2,1-2H3/b10-8+
InChIKeyBWWCVTICZGCUFY-CSKARUKUSA-N
MW246.39 g/mol
LogP5.46
Rot. Bonds9

About 1-hexoxy-4-[(E)-pent-1-enyl]benzene

1-hexoxy-4-[(E)-pent-1-enyl]benzene (PubChem CID 173201966) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-hexoxy-4-[(E)-pent-1-enyl]benzene.

Molecular Properties

Compound Name1-hexoxy-4-[(E)-pent-1-enyl]benzene
PubChem CID173201966
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-hexoxy-4-[(E)-pent-1-enyl]benzene
SMILESCCC/C=C/c1ccc(OCCCCCC)cc1
InChIInChI=1S/C17H26O/c1-3-5-7-9-15-18-17-13-11-16(12-14-17)10-8-6-4-2/h8,10-14H,3-7,9,15H2,1-2H3/b10-8+
InChIKeyBWWCVTICZGCUFY-CSKARUKUSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-hexoxy-4-[(E)-pent-1-enyl]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-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene
CID 173339964
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
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
1-heptyl-4-[[4-[(E)-pent-1-enyl]phenoxy]methyl]benzene
CID 22991613
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
3-(4-decoxyphenyl)prop-2-enoic acid
CID 3472198
1-oxido-4-[(E)-2-(4-undecoxyphenyl)ethenyl]pyridin-1-ium
CID 100920114
(E)-3-(4-nonoxyphenyl)prop-2-enal
CID 87527028
4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-4-[(E)-pent-1-enyl]benzene?
The IUPAC name of 1-hexoxy-4-[(E)-pent-1-enyl]benzene (CID 173201966) is 1-hexoxy-4-[(E)-pent-1-enyl]benzene.
What is the SMILES notation for 1-hexoxy-4-[(E)-pent-1-enyl]benzene?
The canonical SMILES for 1-hexoxy-4-[(E)-pent-1-enyl]benzene is CCC/C=C/c1ccc(OCCCCCC)cc1.
What is the InChIKey of 1-hexoxy-4-[(E)-pent-1-enyl]benzene?
The InChIKey is BWWCVTICZGCUFY-CSKARUKUSA-N. The full InChI is InChI=1S/C17H26O/c1-3-5-7-9-15-18-17-13-11-16(12-14-17)10-8-6-4-2/h8,10-14H,3-7,9,15H2,1-2H3/b10-8+.
What are the key properties of 1-hexoxy-4-[(E)-pent-1-enyl]benzene?
1-hexoxy-4-[(E)-pent-1-enyl]benzene has a molecular weight of 246.39 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-4-[(E)-pent-1-enyl]benzene is sourced from PubChem (CID 173201966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).