triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene

C30H36 — CID 91195237

IUPACtriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
SMILESC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCCCC
InChIInChI=1S/C30H36/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/h3,5,7,9-30H,1,4,6,8H2,2H3
InChIKeyKOCXYTXOJBJYBH-UHFFFAOYSA-N
MW396.62 g/mol
LogP9.04
Rot. Bonds15

About triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene

triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene (PubChem CID 91195237) has the molecular formula C30H36 and a molecular weight of 396.62 g/mol. Its IUPAC name is triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene.

Molecular Properties

Compound Nametriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
PubChem CID91195237
Molecular FormulaC30H36
Molecular Weight396.62 g/mol
Exact Mass396.28
IUPAC Nametriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
SMILESC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCCCC
InChIInChI=1S/C30H36/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/h3,5,7,9-30H,1,4,6,8H2,2H3
InChIKeyKOCXYTXOJBJYBH-UHFFFAOYSA-N
XLogP9.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
tricosa-1,3,5,7-tetraene
CID 90704431
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845
hexacosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91421045
(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
CID 173020960
hecta-1,3,5,7,9,11,13,15,17,19-decaene
CID 173395996
bis((3E)-octa-1,3-diene);ruthenium
CID 173228817
(4Z)-trideca-1,4,6,8-tetraene
CID 59905283
alumane;octadeca-1,3,5-triene;sulfuric acid
CID 175434507
(3Z)-heptadeca-1,3,9-triene
CID 175589298
nonadeca-1,3,5,7,10,12-hexaen-9-one
CID 90034448

Frequently Asked Questions

What is the IUPAC name of triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene?
The IUPAC name of triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene (CID 91195237) is triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene.
What is the SMILES notation for triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene?
The canonical SMILES for triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene is C=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCCCC.
What is the InChIKey of triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene?
The InChIKey is KOCXYTXOJBJYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36/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/h3,5,7,9-30H,1,4,6,8H2,2H3.
What are the key properties of triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene?
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene has a molecular weight of 396.62 g/mol, XLogP of 9.04, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene is sourced from PubChem (CID 91195237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).