(6E)-3,7,11-trimethyldodeca-1,6,10-triene

C15H25+ — CID 101447055

IUPAC(6E)-3,7,11-trimethyldodeca-1,6,10-triene
SMILESC=C[C+](C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H25/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,7-8,10-11H2,2-5H3/q+1/b15-12+
InChIKeyYVGYIOFELYQRGK-NTCAYCPXSA-N
MW205.36 g/mol
LogP5.24
Rot. Bonds7

About (6E)-3,7,11-trimethyldodeca-1,6,10-triene

(6E)-3,7,11-trimethyldodeca-1,6,10-triene (PubChem CID 101447055) has the molecular formula C15H25+ and a molecular weight of 205.36 g/mol. Its IUPAC name is (6E)-3,7,11-trimethyldodeca-1,6,10-triene.

Molecular Properties

Compound Name(6E)-3,7,11-trimethyldodeca-1,6,10-triene
PubChem CID101447055
Molecular FormulaC15H25+
Molecular Weight205.36 g/mol
Exact Mass205.20
IUPAC Name(6E)-3,7,11-trimethyldodeca-1,6,10-triene
SMILESC=C[C+](C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H25/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,7-8,10-11H2,2-5H3/q+1/b15-12+
InChIKeyYVGYIOFELYQRGK-NTCAYCPXSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500205.36
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 173158415
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CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
1-bromo-2,6,10-trimethylundeca-1,5,9-triene
CID 86044295
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene
CID 138968984
(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
CID 101345792
(6E,10Z,14E,18Z)-2,10,23-trimethyltetracosa-2,6,10,14,18,22-hexaene
CID 5326453

Frequently Asked Questions

What is the IUPAC name of (6E)-3,7,11-trimethyldodeca-1,6,10-triene?
The IUPAC name of (6E)-3,7,11-trimethyldodeca-1,6,10-triene (CID 101447055) is (6E)-3,7,11-trimethyldodeca-1,6,10-triene.
What is the SMILES notation for (6E)-3,7,11-trimethyldodeca-1,6,10-triene?
The canonical SMILES for (6E)-3,7,11-trimethyldodeca-1,6,10-triene is C=C[C+](C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E)-3,7,11-trimethyldodeca-1,6,10-triene?
The InChIKey is YVGYIOFELYQRGK-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H25/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,7-8,10-11H2,2-5H3/q+1/b15-12+.
What are the key properties of (6E)-3,7,11-trimethyldodeca-1,6,10-triene?
(6E)-3,7,11-trimethyldodeca-1,6,10-triene has a molecular weight of 205.36 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,7,11-trimethyldodeca-1,6,10-triene is sourced from PubChem (CID 101447055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).