2-ethenyl-1,4-di(tetradecoxy)benzene

C36H64O2 — CID 102407771

IUPAC2-ethenyl-1,4-di(tetradecoxy)benzene
SMILESC=Cc1cc(OCCCCCCCCCCCCCC)ccc1OCCCCCCCCCCCCCC
InChIInChI=1S/C36H64O2/c1-4-7-9-11-13-15-17-19-21-23-25-27-31-37-35-29-30-36(34(6-3)33-35)38-32-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,29-30,33H,3-5,7-28,31-32H2,1-2H3
InChIKeySLJKGTHSZAIFGU-UHFFFAOYSA-N
MW528.91 g/mol
LogP12.49
Rot. Bonds29

About 2-ethenyl-1,4-di(tetradecoxy)benzene

2-ethenyl-1,4-di(tetradecoxy)benzene (PubChem CID 102407771) has the molecular formula C36H64O2 and a molecular weight of 528.91 g/mol. Its IUPAC name is 2-ethenyl-1,4-di(tetradecoxy)benzene.

Molecular Properties

Compound Name2-ethenyl-1,4-di(tetradecoxy)benzene
PubChem CID102407771
Molecular FormulaC36H64O2
Molecular Weight528.91 g/mol
Exact Mass528.49
IUPAC Name2-ethenyl-1,4-di(tetradecoxy)benzene
SMILESC=Cc1cc(OCCCCCCCCCCCCCC)ccc1OCCCCCCCCCCCCCC
InChIInChI=1S/C36H64O2/c1-4-7-9-11-13-15-17-19-21-23-25-27-31-37-35-29-30-36(34(6-3)33-35)38-32-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,29-30,33H,3-5,7-28,31-32H2,1-2H3
InChIKeySLJKGTHSZAIFGU-UHFFFAOYSA-N
XLogP12.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.91
LogP ≤ 512.49
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

1,4-bis[(E)-2-(4-ethenyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxybenzene
CID 101045476
1-ethenyl-2-heptadecoxybenzene
CID 139672731
2-buta-1,3-dien-2-yl-1,4-dioctoxybenzene
CID 102447513
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
2,5-bis[(9Z,12Z)-octadeca-9,12-dienoxy]benzaldehyde
CID 118916470
1,4-didecoxybenzene;1,4-didecoxy-2-iodobenzene
CID 161204847
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene
CID 177462913
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-[(E)-2-(4-ethynylphenyl)ethenyl]-1,4-dioctoxybenzene
CID 11655552

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,4-di(tetradecoxy)benzene?
The IUPAC name of 2-ethenyl-1,4-di(tetradecoxy)benzene (CID 102407771) is 2-ethenyl-1,4-di(tetradecoxy)benzene.
What is the SMILES notation for 2-ethenyl-1,4-di(tetradecoxy)benzene?
The canonical SMILES for 2-ethenyl-1,4-di(tetradecoxy)benzene is C=Cc1cc(OCCCCCCCCCCCCCC)ccc1OCCCCCCCCCCCCCC.
What is the InChIKey of 2-ethenyl-1,4-di(tetradecoxy)benzene?
The InChIKey is SLJKGTHSZAIFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H64O2/c1-4-7-9-11-13-15-17-19-21-23-25-27-31-37-35-29-30-36(34(6-3)33-35)38-32-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,29-30,33H,3-5,7-28,31-32H2,1-2H3.
What are the key properties of 2-ethenyl-1,4-di(tetradecoxy)benzene?
2-ethenyl-1,4-di(tetradecoxy)benzene has a molecular weight of 528.91 g/mol, XLogP of 12.49, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,4-di(tetradecoxy)benzene is sourced from PubChem (CID 102407771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).