1-ethenyl-4-henicosoxybenzene

C29H50O — CID 174769675

IUPAC1-ethenyl-4-henicosoxybenzene
SMILESC=Cc1ccc(OCCCCCCCCCCCCCCCCCCCCC)cc1
InChIInChI=1S/C29H50O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-29-25-23-28(4-2)24-26-29/h4,23-26H,2-3,5-22,27H2,1H3
InChIKeyXPVQLSJCKAEBOP-UHFFFAOYSA-N
MW414.72 g/mol
LogP10.14
Rot. Bonds22

About 1-ethenyl-4-henicosoxybenzene

1-ethenyl-4-henicosoxybenzene (PubChem CID 174769675) has the molecular formula C29H50O and a molecular weight of 414.72 g/mol. Its IUPAC name is 1-ethenyl-4-henicosoxybenzene.

Molecular Properties

Compound Name1-ethenyl-4-henicosoxybenzene
PubChem CID174769675
Molecular FormulaC29H50O
Molecular Weight414.72 g/mol
Exact Mass414.39
IUPAC Name1-ethenyl-4-henicosoxybenzene
SMILESC=Cc1ccc(OCCCCCCCCCCCCCCCCCCCCC)cc1
InChIInChI=1S/C29H50O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-29-25-23-28(4-2)24-26-29/h4,23-26H,2-3,5-22,27H2,1H3
InChIKeyXPVQLSJCKAEBOP-UHFFFAOYSA-N
XLogP10.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 510.14
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-ethenyl-4-undecoxybenzene
CID 174770051
1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene
CID 161207949
1,4-dipentoxybenzene
CID 18314717
4-icosoxybenzaldehyde
CID 23127488
11-(4-ethenylphenoxy)undecyl-trimethylazanium
CID 169121754
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-ethenyl-4-(4-iodobutoxy)benzene
CID 71412951

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-henicosoxybenzene?
The IUPAC name of 1-ethenyl-4-henicosoxybenzene (CID 174769675) is 1-ethenyl-4-henicosoxybenzene.
What is the SMILES notation for 1-ethenyl-4-henicosoxybenzene?
The canonical SMILES for 1-ethenyl-4-henicosoxybenzene is C=Cc1ccc(OCCCCCCCCCCCCCCCCCCCCC)cc1.
What is the InChIKey of 1-ethenyl-4-henicosoxybenzene?
The InChIKey is XPVQLSJCKAEBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-29-25-23-28(4-2)24-26-29/h4,23-26H,2-3,5-22,27H2,1H3.
What are the key properties of 1-ethenyl-4-henicosoxybenzene?
1-ethenyl-4-henicosoxybenzene has a molecular weight of 414.72 g/mol, XLogP of 10.14, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-henicosoxybenzene is sourced from PubChem (CID 174769675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).