1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene

C16H24O — CID 146277990

IUPAC1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene
SMILESCCCCCCO/C=C(\C)c1ccc(C)cc1
InChIInChI=1S/C16H24O/c1-4-5-6-7-12-17-13-15(3)16-10-8-14(2)9-11-16/h8-11,13H,4-7,12H2,1-3H3/b15-13+
InChIKeyFNHVMWVXNSAAST-FYWRMAATSA-N
MW232.37 g/mol
LogP4.95
Rot. Bonds7

About 1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene

1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene (PubChem CID 146277990) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene
PubChem CID146277990
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene
SMILESCCCCCCO/C=C(\C)c1ccc(C)cc1
InChIInChI=1S/C16H24O/c1-4-5-6-7-12-17-13-15(3)16-10-8-14(2)9-11-16/h8-11,13H,4-7,12H2,1-3H3/b15-13+
InChIKeyFNHVMWVXNSAAST-FYWRMAATSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
CID 163241353
1-[(E)-1-[(Z)-hex-3-enoxy]prop-1-en-2-yl]-4-methylbenzene
CID 146278023
1-(2-methylprop-1-enoxy)heptane
CID 22234809
triacontyl 4-methylbenzoate
CID 151561667
1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene
CID 163402470
2-heptoxy-1-(4-methylphenyl)ethanone
CID 43800117
1-dodecylperoxydodecane;(4-methylbenzoyl) 4-methylbenzenecarboperoxoate
CID 174783288
1-(4-pentoxyphenyl)ethanone;1,4-xylene
CID 142206673
1-pentoxyprop-1-en-2-ol
CID 173004017
(4-hexoxyphenyl) 4-methylbenzoate
CID 7573884
1-heptoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene
CID 58428325
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene?
The IUPAC name of 1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene (CID 146277990) is 1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene?
The canonical SMILES for 1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene is CCCCCCO/C=C(\C)c1ccc(C)cc1.
What is the InChIKey of 1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene?
The InChIKey is FNHVMWVXNSAAST-FYWRMAATSA-N. The full InChI is InChI=1S/C16H24O/c1-4-5-6-7-12-17-13-15(3)16-10-8-14(2)9-11-16/h8-11,13H,4-7,12H2,1-3H3/b15-13+.
What are the key properties of 1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene?
1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene has a molecular weight of 232.37 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene is sourced from PubChem (CID 146277990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).