[(E)-4-hexadecoxybut-2-en-2-yl]benzene

C26H44O — CID 102429308

IUPAC[(E)-4-hexadecoxybut-2-en-2-yl]benzene
SMILESCCCCCCCCCCCCCCCCOC/C=C(\C)c1ccccc1
InChIInChI=1S/C26H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-27-24-22-25(2)26-20-17-16-18-21-26/h16-18,20-22H,3-15,19,23-24H2,1-2H3/b25-22+
InChIKeyYRAJQTKGLRLYHP-YYDJUVGSSA-N
MW372.64 g/mol
LogP8.59
Rot. Bonds18

About [(E)-4-hexadecoxybut-2-en-2-yl]benzene

[(E)-4-hexadecoxybut-2-en-2-yl]benzene (PubChem CID 102429308) has the molecular formula C26H44O and a molecular weight of 372.64 g/mol. Its IUPAC name is [(E)-4-hexadecoxybut-2-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-4-hexadecoxybut-2-en-2-yl]benzene
PubChem CID102429308
Molecular FormulaC26H44O
Molecular Weight372.64 g/mol
Exact Mass372.34
IUPAC Name[(E)-4-hexadecoxybut-2-en-2-yl]benzene
SMILESCCCCCCCCCCCCCCCCOC/C=C(\C)c1ccccc1
InChIInChI=1S/C26H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-27-24-22-25(2)26-20-17-16-18-21-26/h16-18,20-22H,3-15,19,23-24H2,1-2H3/b25-22+
InChIKeyYRAJQTKGLRLYHP-YYDJUVGSSA-N
XLogP8.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 58.59
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-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene
CID 163402477
1-pentoxypentane;1-phenylethenylbenzene
CID 174459575
benzoic acid;1-pentoxypentane
CID 70815519
[(E)-but-2-en-2-yl]benzene;heptane;2-methylprop-1-ene
CID 144959576
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
acetylene;N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]benzamide;propane;1-propoxybutane
CID 176922309
3-heptoxy-1-phenylpropan-1-one
CID 116692052
3-pentoxyprop-1-en-2-ylbenzene
CID 174460660
2-nonoxyethyl benzoate
CID 140608587
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214

Frequently Asked Questions

What is the IUPAC name of [(E)-4-hexadecoxybut-2-en-2-yl]benzene?
The IUPAC name of [(E)-4-hexadecoxybut-2-en-2-yl]benzene (CID 102429308) is [(E)-4-hexadecoxybut-2-en-2-yl]benzene.
What is the SMILES notation for [(E)-4-hexadecoxybut-2-en-2-yl]benzene?
The canonical SMILES for [(E)-4-hexadecoxybut-2-en-2-yl]benzene is CCCCCCCCCCCCCCCCOC/C=C(\C)c1ccccc1.
What is the InChIKey of [(E)-4-hexadecoxybut-2-en-2-yl]benzene?
The InChIKey is YRAJQTKGLRLYHP-YYDJUVGSSA-N. The full InChI is InChI=1S/C26H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-27-24-22-25(2)26-20-17-16-18-21-26/h16-18,20-22H,3-15,19,23-24H2,1-2H3/b25-22+.
What are the key properties of [(E)-4-hexadecoxybut-2-en-2-yl]benzene?
[(E)-4-hexadecoxybut-2-en-2-yl]benzene has a molecular weight of 372.64 g/mol, XLogP of 8.59, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-hexadecoxybut-2-en-2-yl]benzene is sourced from PubChem (CID 102429308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).