13-ethylhexacosa-1,2-diene

C28H54 — CID 91273898

IUPAC13-ethylhexacosa-1,2-diene
SMILESC=C=CCCCCCCCCCC(CC)CCCCCCCCCCCCC
InChIInChI=1S/C28H54/c1-4-7-9-11-13-15-17-19-21-23-25-27-28(6-3)26-24-22-20-18-16-14-12-10-8-5-2/h8,28H,2,4,6-7,9-27H2,1,3H3
InChIKeyKRBCOZLOTIKYGS-UHFFFAOYSA-N
MW390.74 g/mol
LogP10.57
Rot. Bonds23

About 13-ethylhexacosa-1,2-diene

13-ethylhexacosa-1,2-diene (PubChem CID 91273898) has the molecular formula C28H54 and a molecular weight of 390.74 g/mol. Its IUPAC name is 13-ethylhexacosa-1,2-diene.

Molecular Properties

Compound Name13-ethylhexacosa-1,2-diene
PubChem CID91273898
Molecular FormulaC28H54
Molecular Weight390.74 g/mol
Exact Mass390.42
IUPAC Name13-ethylhexacosa-1,2-diene
SMILESC=C=CCCCCCCCCCC(CC)CCCCCCCCCCCCC
InChIInChI=1S/C28H54/c1-4-7-9-11-13-15-17-19-21-23-25-27-28(6-3)26-24-22-20-18-16-14-12-10-8-5-2/h8,28H,2,4,6-7,9-27H2,1,3H3
InChIKeyKRBCOZLOTIKYGS-UHFFFAOYSA-N
XLogP10.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.74
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentacosa-1,2-diene
CID 91256364
docosa-1,2-diene
CID 90871698
19-methyltricosa-1,2-diene
CID 91801678
9-ethylhexadec-1-ene
CID 163949602
10-ethyldocos-1-ene
CID 91804827
8-ethylpentadec-1-ene
CID 91081893
6-ethyltridec-1-ene
CID 174048481
16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393
(E)-19-ethylhexacos-12-ene
CID 173194168
16-ethyldocos-10-ene
CID 91389222
7-ethyltetracosane
CID 22223872

Frequently Asked Questions

What is the IUPAC name of 13-ethylhexacosa-1,2-diene?
The IUPAC name of 13-ethylhexacosa-1,2-diene (CID 91273898) is 13-ethylhexacosa-1,2-diene.
What is the SMILES notation for 13-ethylhexacosa-1,2-diene?
The canonical SMILES for 13-ethylhexacosa-1,2-diene is C=C=CCCCCCCCCCC(CC)CCCCCCCCCCCCC.
What is the InChIKey of 13-ethylhexacosa-1,2-diene?
The InChIKey is KRBCOZLOTIKYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54/c1-4-7-9-11-13-15-17-19-21-23-25-27-28(6-3)26-24-22-20-18-16-14-12-10-8-5-2/h8,28H,2,4,6-7,9-27H2,1,3H3.
What are the key properties of 13-ethylhexacosa-1,2-diene?
13-ethylhexacosa-1,2-diene has a molecular weight of 390.74 g/mol, XLogP of 10.57, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethylhexacosa-1,2-diene is sourced from PubChem (CID 91273898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).