1,2-bis(ethenyl)benzene;ethenyl octadecanoate

C30H48O2 — CID 70147414

IUPAC1,2-bis(ethenyl)benzene;ethenyl octadecanoate
SMILESC=COC(=O)CCCCCCCCCCCCCCCCC.C=Cc1ccccc1C=C
InChIInChI=1S/C20H38O2.C10H10/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;1-3-9-7-5-6-8-10(9)4-2/h4H,2-3,5-19H2,1H3;3-8H,1-2H2
InChIKeyLFDWHTDYBJNVIA-UHFFFAOYSA-N
MW440.71 g/mol
LogP9.91
Rot. Bonds19

About 1,2-bis(ethenyl)benzene;ethenyl octadecanoate

1,2-bis(ethenyl)benzene;ethenyl octadecanoate (PubChem CID 70147414) has the molecular formula C30H48O2 and a molecular weight of 440.71 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;ethenyl octadecanoate.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;ethenyl octadecanoate
PubChem CID70147414
Molecular FormulaC30H48O2
Molecular Weight440.71 g/mol
Exact Mass440.37
IUPAC Name1,2-bis(ethenyl)benzene;ethenyl octadecanoate
SMILESC=COC(=O)CCCCCCCCCCCCCCCCC.C=Cc1ccccc1C=C
InChIInChI=1S/C20H38O2.C10H10/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;1-3-9-7-5-6-8-10(9)4-2/h4H,2-3,5-19H2,1H3;3-8H,1-2H2
InChIKeyLFDWHTDYBJNVIA-UHFFFAOYSA-N
XLogP9.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.71
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethenyl butanoate;ethenyl octadecanoate
CID 161122383
ethenyl octacosanoate
CID 54439588
ethenyl heptatriacontanoate
CID 139682782
ethenyl henpentacontanoate
CID 139683011
ethenyl tetracontanoate
CID 139682936
acetic acid;ethenyl octadecanoate
CID 87067593
ethenyl (9Z,12Z)-octadeca-9,12-dienoate
CID 87157382
bis(ethenyl) hexanedioate
CID 19997
ethenyl pentanoate;methoxyethene
CID 174843256
[(Z)-2-phenylethenyl] hexadecanoate
CID 177448734
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
formyl docosanoate
CID 87130713

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;ethenyl octadecanoate?
The IUPAC name of 1,2-bis(ethenyl)benzene;ethenyl octadecanoate (CID 70147414) is 1,2-bis(ethenyl)benzene;ethenyl octadecanoate.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;ethenyl octadecanoate?
The canonical SMILES for 1,2-bis(ethenyl)benzene;ethenyl octadecanoate is C=COC(=O)CCCCCCCCCCCCCCCCC.C=Cc1ccccc1C=C.
What is the InChIKey of 1,2-bis(ethenyl)benzene;ethenyl octadecanoate?
The InChIKey is LFDWHTDYBJNVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2.C10H10/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;1-3-9-7-5-6-8-10(9)4-2/h4H,2-3,5-19H2,1H3;3-8H,1-2H2.
What are the key properties of 1,2-bis(ethenyl)benzene;ethenyl octadecanoate?
1,2-bis(ethenyl)benzene;ethenyl octadecanoate has a molecular weight of 440.71 g/mol, XLogP of 9.91, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)benzene;ethenyl octadecanoate is sourced from PubChem (CID 70147414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).