1-hexyl-4-(4-methoxybut-1-enyl)benzene

C17H26O — CID 69349252

IUPAC1-hexyl-4-(4-methoxybut-1-enyl)benzene
SMILESCCCCCCc1ccc(C=CCCOC)cc1
InChIInChI=1S/C17H26O/c1-3-4-5-6-9-16-11-13-17(14-12-16)10-7-8-15-18-2/h7,10-14H,3-6,8-9,15H2,1-2H3
InChIKeySJVSNHBKKANVDW-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.86
Rot. Bonds9

About 1-hexyl-4-(4-methoxybut-1-enyl)benzene

1-hexyl-4-(4-methoxybut-1-enyl)benzene (PubChem CID 69349252) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-hexyl-4-(4-methoxybut-1-enyl)benzene.

Molecular Properties

Compound Name1-hexyl-4-(4-methoxybut-1-enyl)benzene
PubChem CID69349252
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-hexyl-4-(4-methoxybut-1-enyl)benzene
SMILESCCCCCCc1ccc(C=CCCOC)cc1
InChIInChI=1S/C17H26O/c1-3-4-5-6-9-16-11-13-17(14-12-16)10-7-8-15-18-2/h7,10-14H,3-6,8-9,15H2,1-2H3
InChIKeySJVSNHBKKANVDW-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-4-hept-1-enylbenzene
CID 173045869
4-(4-hexylphenyl)but-3-ene-1-thiol
CID 170479144
1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821
3-(4-hexylphenyl)prop-2-en-1-ol
CID 169454033
1-heptyl-4-[[4-[(E)-pent-1-enyl]phenoxy]methyl]benzene
CID 22991613
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline
CID 72543298
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene
CID 58090333
1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene
CID 54142256
1-undecyl-4-[2-[4-[(E)-2-[4-[2-(4-undecylphenyl)ethynyl]phenyl]ethenyl]phenyl]ethynyl]benzene
CID 59413222

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-(4-methoxybut-1-enyl)benzene?
The IUPAC name of 1-hexyl-4-(4-methoxybut-1-enyl)benzene (CID 69349252) is 1-hexyl-4-(4-methoxybut-1-enyl)benzene.
What is the SMILES notation for 1-hexyl-4-(4-methoxybut-1-enyl)benzene?
The canonical SMILES for 1-hexyl-4-(4-methoxybut-1-enyl)benzene is CCCCCCc1ccc(C=CCCOC)cc1.
What is the InChIKey of 1-hexyl-4-(4-methoxybut-1-enyl)benzene?
The InChIKey is SJVSNHBKKANVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-4-5-6-9-16-11-13-17(14-12-16)10-7-8-15-18-2/h7,10-14H,3-6,8-9,15H2,1-2H3.
What are the key properties of 1-hexyl-4-(4-methoxybut-1-enyl)benzene?
1-hexyl-4-(4-methoxybut-1-enyl)benzene has a molecular weight of 246.39 g/mol, XLogP of 4.86, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-(4-methoxybut-1-enyl)benzene is sourced from PubChem (CID 69349252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).