(4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene

C15H24 — CID 87328569

IUPAC(4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene
SMILESC/C=C/CC/C=C/C/C=C/C(C)=C(C)C
InChIInChI=1S/C15H24/c1-5-6-7-8-9-10-11-12-13-15(4)14(2)3/h5-6,9-10,12-13H,7-8,11H2,1-4H3/b6-5+,10-9+,13-12+
InChIKeyUHPADLWMCQUEAT-IBMYIFNESA-N
MW204.36 g/mol
LogP5.20
Rot. Bonds6

About (4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene

(4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene (PubChem CID 87328569) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene.

Molecular Properties

Compound Name(4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene
PubChem CID87328569
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene
SMILESC/C=C/CC/C=C/C/C=C/C(C)=C(C)C
InChIInChI=1S/C15H24/c1-5-6-7-8-9-10-11-12-13-15(4)14(2)3/h5-6,9-10,12-13H,7-8,11H2,1-4H3/b6-5+,10-9+,13-12+
InChIKeyUHPADLWMCQUEAT-IBMYIFNESA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.20
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene
CID 142044240
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
(6Z)-deca-2,6-diene
CID 159397578
(3E,6E,10E)-dodeca-1,3,6,10-tetraene
CID 22236753
(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
CID 21397771
tetracosa-4,8,12,15,19,22-hexaenoic acid
CID 164519601
2-methylundeca-1,3,6,10-tetraene
CID 123646440
(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid
CID 88900992
(4E,7E,10E,13E,16E,19E)-henicosa-4,7,10,13,16,19-hexaenoic acid
CID 44602959
octa-3,6-diene-1-thiol
CID 54552992

Frequently Asked Questions

What is the IUPAC name of (4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene?
The IUPAC name of (4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene (CID 87328569) is (4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene.
What is the SMILES notation for (4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene?
The canonical SMILES for (4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene is C/C=C/CC/C=C/C/C=C/C(C)=C(C)C.
What is the InChIKey of (4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene?
The InChIKey is UHPADLWMCQUEAT-IBMYIFNESA-N. The full InChI is InChI=1S/C15H24/c1-5-6-7-8-9-10-11-12-13-15(4)14(2)3/h5-6,9-10,12-13H,7-8,11H2,1-4H3/b6-5+,10-9+,13-12+.
What are the key properties of (4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene?
(4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene has a molecular weight of 204.36 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene is sourced from PubChem (CID 87328569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).