(5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene

C17H28 — CID 158643699

IUPAC(5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene
SMILESC=CCC/C=C(\C)C(C)C=C(C)C(C)C=CC
InChIInChI=1S/C17H28/c1-7-9-10-12-15(4)17(6)13-16(5)14(3)11-8-2/h7-8,11-14,17H,1,9-10H2,2-6H3/b11-8?,15-12+,16-13?
InChIKeyFJMRNCQIGDXMOJ-ITVXTYPQSA-N
MW232.41 g/mol
LogP5.69
Rot. Bonds7

About (5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene

(5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene (PubChem CID 158643699) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is (5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene.

Molecular Properties

Compound Name(5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene
PubChem CID158643699
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name(5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene
SMILESC=CCC/C=C(\C)C(C)C=C(C)C(C)C=CC
InChIInChI=1S/C17H28/c1-7-9-10-12-15(4)17(6)13-16(5)14(3)11-8-2/h7-8,11-14,17H,1,9-10H2,2-6H3/b11-8?,15-12+,16-13?
InChIKeyFJMRNCQIGDXMOJ-ITVXTYPQSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.69
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

(3E)-3-methylocta-3,7-dien-2-ol
CID 20501690
(3E,6E)-4,5-dimethylocta-1,3,6-triene
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5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene
CID 59775223
(4E,7E)-5,6,7-trimethylnona-1,4,7-triene
CID 20695263
5,6-dimethyldeca-1,4,8-triene
CID 59970929
(4E,7E)-4,6,7-trimethylnona-1,4,7-triene
CID 20695244
6-methyldeca-1,5,8-triene
CID 150645087
2-methyl-5-prop-1-enylnona-1,8-diene
CID 91203633
5-butan-2-ylocta-1,6-diene
CID 123143633
(3E)-3-ethylocta-3,7-dien-2-ol
CID 88713488
5,9-dimethyldeca-1,8-diene
CID 12578605
10-methylundeca-1,5,9-triene
CID 71330376

Frequently Asked Questions

What is the IUPAC name of (5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene?
The IUPAC name of (5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene (CID 158643699) is (5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene.
What is the SMILES notation for (5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene?
The canonical SMILES for (5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene is C=CCC/C=C(\C)C(C)C=C(C)C(C)C=CC.
What is the InChIKey of (5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene?
The InChIKey is FJMRNCQIGDXMOJ-ITVXTYPQSA-N. The full InChI is InChI=1S/C17H28/c1-7-9-10-12-15(4)17(6)13-16(5)14(3)11-8-2/h7-8,11-14,17H,1,9-10H2,2-6H3/b11-8?,15-12+,16-13?.
What are the key properties of (5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene?
(5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene has a molecular weight of 232.41 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene is sourced from PubChem (CID 158643699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).