1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene

C26H36O2 — CID 70667681

IUPAC1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
SMILESC=Cc1ccc(OCCCCCCCCCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C26H36O2/c1-3-24-15-19-26(20-16-24)28-22-12-10-8-6-4-5-7-9-11-21-27-25-17-13-23(2)14-18-25/h3,13-20H,1,4-12,21-22H2,2H3
InChIKeyYALVTMXRLLUYJE-UHFFFAOYSA-N
MW380.57 g/mol
LogP7.61
Rot. Bonds15

About 1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene

1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene (PubChem CID 70667681) has the molecular formula C26H36O2 and a molecular weight of 380.57 g/mol. Its IUPAC name is 1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
PubChem CID70667681
Molecular FormulaC26H36O2
Molecular Weight380.57 g/mol
Exact Mass380.27
IUPAC Name1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
SMILESC=Cc1ccc(OCCCCCCCCCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C26H36O2/c1-3-24-15-19-26(20-16-24)28-22-12-10-8-6-4-5-7-9-11-21-27-25-17-13-23(2)14-18-25/h3,13-20H,1,4-12,21-22H2,2H3
InChIKeyYALVTMXRLLUYJE-UHFFFAOYSA-N
XLogP7.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
11-(4-ethenylphenoxy)undecyl-trimethylazanium
CID 169121754
9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene
CID 134370848
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
1-ethenyl-4-(4-iodobutoxy)benzene
CID 71412951
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine
CID 68645784
[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
CID 71342009
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene?
The IUPAC name of 1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene (CID 70667681) is 1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene.
What is the SMILES notation for 1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene?
The canonical SMILES for 1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene is C=Cc1ccc(OCCCCCCCCCCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene?
The InChIKey is YALVTMXRLLUYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2/c1-3-24-15-19-26(20-16-24)28-22-12-10-8-6-4-5-7-9-11-21-27-25-17-13-23(2)14-18-25/h3,13-20H,1,4-12,21-22H2,2H3.
What are the key properties of 1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene?
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene has a molecular weight of 380.57 g/mol, XLogP of 7.61, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene is sourced from PubChem (CID 70667681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).