2,3-dimethyltrideca-2,4,6,8-tetraene

C15H24 — CID 173035438

IUPAC2,3-dimethyltrideca-2,4,6,8-tetraene
SMILESCCCCC=CC=CC=CC(C)=C(C)C
InChIInChI=1S/C15H24/c1-5-6-7-8-9-10-11-12-13-15(4)14(2)3/h8-13H,5-7H2,1-4H3
InChIKeyUUBKWWBEZOCQKK-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.20
Rot. Bonds6

About 2,3-dimethyltrideca-2,4,6,8-tetraene

2,3-dimethyltrideca-2,4,6,8-tetraene (PubChem CID 173035438) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2,3-dimethyltrideca-2,4,6,8-tetraene.

Molecular Properties

Compound Name2,3-dimethyltrideca-2,4,6,8-tetraene
PubChem CID173035438
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2,3-dimethyltrideca-2,4,6,8-tetraene
SMILESCCCCC=CC=CC=CC(C)=C(C)C
InChIInChI=1S/C15H24/c1-5-6-7-8-9-10-11-12-13-15(4)14(2)3/h8-13H,5-7H2,1-4H3
InChIKeyUUBKWWBEZOCQKK-UHFFFAOYSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5E,7E)-trideca-3,5,7-trien-2-one
CID 118922947
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913
pentadeca-3,5,7-trien-2-one
CID 91106763
methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601
trideca-2,4,6,8-tetraene
CID 54117998
(1E)-octa-1,3-dien-1-ol
CID 154003406
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
(3Z,5E)-1-chlorodeca-1,3,5-triene
CID 138968587

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyltrideca-2,4,6,8-tetraene?
The IUPAC name of 2,3-dimethyltrideca-2,4,6,8-tetraene (CID 173035438) is 2,3-dimethyltrideca-2,4,6,8-tetraene.
What is the SMILES notation for 2,3-dimethyltrideca-2,4,6,8-tetraene?
The canonical SMILES for 2,3-dimethyltrideca-2,4,6,8-tetraene is CCCCC=CC=CC=CC(C)=C(C)C.
What is the InChIKey of 2,3-dimethyltrideca-2,4,6,8-tetraene?
The InChIKey is UUBKWWBEZOCQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-6-7-8-9-10-11-12-13-15(4)14(2)3/h8-13H,5-7H2,1-4H3.
What are the key properties of 2,3-dimethyltrideca-2,4,6,8-tetraene?
2,3-dimethyltrideca-2,4,6,8-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 2,3-dimethyltrideca-2,4,6,8-tetraene is sourced from PubChem (CID 173035438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).