triaconta-1,19-diene

C30H58 — CID 54007897

IUPACtriaconta-1,19-diene
SMILESC=CCCCCCCCCCCCCCCCCC=CCCCCCCCCCC
InChIInChI=1S/C30H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,22,24H,1,4-21,23,25-30H2,2H3
InChIKeyKQEQRSNHRDPBOX-UHFFFAOYSA-N
MW418.79 g/mol
LogP11.50
Rot. Bonds26

About triaconta-1,19-diene

triaconta-1,19-diene (PubChem CID 54007897) has the molecular formula C30H58 and a molecular weight of 418.79 g/mol. Its IUPAC name is triaconta-1,19-diene.

Molecular Properties

Compound Nametriaconta-1,19-diene
PubChem CID54007897
Molecular FormulaC30H58
Molecular Weight418.79 g/mol
Exact Mass418.45
IUPAC Nametriaconta-1,19-diene
SMILESC=CCCCCCCCCCCCCCCCCC=CCCCCCCCCCC
InChIInChI=1S/C30H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,22,24H,1,4-21,23,25-30H2,2H3
InChIKeyKQEQRSNHRDPBOX-UHFFFAOYSA-N
XLogP11.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.79
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
heptadeca-1,7-diene
CID 57204265
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
(18Z)-heptacosa-1,18-diene
CID 14841085
(7E)-heptadeca-1,7-diene
CID 19050683
hexadec-6-ene;hex-1-ene
CID 158850904
tricosa-1,6-diene
CID 175196703
nonacosa-1,7,9,21-tetraene
CID 175853197

Frequently Asked Questions

What is the IUPAC name of triaconta-1,19-diene?
The IUPAC name of triaconta-1,19-diene (CID 54007897) is triaconta-1,19-diene.
What is the SMILES notation for triaconta-1,19-diene?
The canonical SMILES for triaconta-1,19-diene is C=CCCCCCCCCCCCCCCCCC=CCCCCCCCCCC.
What is the InChIKey of triaconta-1,19-diene?
The InChIKey is KQEQRSNHRDPBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,22,24H,1,4-21,23,25-30H2,2H3.
What are the key properties of triaconta-1,19-diene?
triaconta-1,19-diene has a molecular weight of 418.79 g/mol, XLogP of 11.50, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triaconta-1,19-diene is sourced from PubChem (CID 54007897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).