(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene

C30H46 — CID 173021038

IUPAC(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
SMILESC=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/CCCCCCCCCCCCCC
InChIInChI=1S/C30H46/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/h3,5,7,9,11,13,15,17,19,21,23,25,27,29-30H,1,4,6,8,10,12,14,16,18,20,22,24,26,28H2,2H3/b7-5+,11-9+,15-13+,19-17+,23-21+,27-25+,30-29+
InChIKeyUYBIBKNBFWXSHO-IZFQNRPCSA-N
MW406.70 g/mol
LogP10.16
Rot. Bonds20

About (3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene

(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene (PubChem CID 173021038) has the molecular formula C30H46 and a molecular weight of 406.70 g/mol. Its IUPAC name is (3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
PubChem CID173021038
Molecular FormulaC30H46
Molecular Weight406.70 g/mol
Exact Mass406.36
IUPAC Name(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
SMILESC=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/CCCCCCCCCCCCCC
InChIInChI=1S/C30H46/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/h3,5,7,9,11,13,15,17,19,21,23,25,27,29-30H,1,4,6,8,10,12,14,16,18,20,22,24,26,28H2,2H3/b7-5+,11-9+,15-13+,19-17+,23-21+,27-25+,30-29+
InChIKeyUYBIBKNBFWXSHO-IZFQNRPCSA-N
XLogP10.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 510.16
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'}

Analyze (3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

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
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
(3Z)-heptadeca-1,3,9-triene
CID 175589298
alumane;octadeca-1,3,5-triene;sulfuric acid
CID 175434507
hexadeca-1,3,8-triene
CID 174048674
nonadeca-1,3,5,7,10,12-hexaen-9-one
CID 90034448
(22E)-heptatetraconta-22,24-diene
CID 56629131

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of (3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene (CID 173021038) is (3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for (3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for (3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene is C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/CCCCCCCCCCCCCC.
What is the InChIKey of (3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene?
The InChIKey is UYBIBKNBFWXSHO-IZFQNRPCSA-N. The full InChI is InChI=1S/C30H46/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/h3,5,7,9,11,13,15,17,19,21,23,25,27,29-30H,1,4,6,8,10,12,14,16,18,20,22,24,26,28H2,2H3/b7-5+,11-9+,15-13+,19-17+,23-21+,27-25+,30-29+.
What are the key properties of (3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene?
(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene has a molecular weight of 406.70 g/mol, XLogP of 10.16, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 173021038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).