(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene

C31H52 — CID 158402923

IUPAC(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
SMILESC.C=C/C(C)=C/C/C=C(\C)CCC=C(C)C.C=CC(=C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/2C15H24.CH4/c2*1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;/h6,9-10,12H,1,7-8,11H2,2-5H3;6,9,12H,1,4,7-8,10-11H2,2-3,5H3;1H4/b14-10+,15-12+;15-12+;
InChIKeyGYIBGFZQJRKKBU-CMRAZTEISA-N
MW424.76 g/mol
LogP11.04
Rot. Bonds13

About (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene

(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene (PubChem CID 158402923) has the molecular formula C31H52 and a molecular weight of 424.76 g/mol. Its IUPAC name is (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene.

Molecular Properties

Compound Name(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
PubChem CID158402923
Molecular FormulaC31H52
Molecular Weight424.76 g/mol
Exact Mass424.41
IUPAC Name(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
SMILESC.C=C/C(C)=C/C/C=C(\C)CCC=C(C)C.C=CC(=C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/2C15H24.CH4/c2*1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;/h6,9-10,12H,1,7-8,11H2,2-5H3;6,9,12H,1,4,7-8,10-11H2,2-3,5H3;1H4/b14-10+,15-12+;15-12+;
InChIKeyGYIBGFZQJRKKBU-CMRAZTEISA-N
XLogP11.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.76
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
7-methyl-3-methylideneocta-1,6-diene
CID 173118544
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate
CID 90389130
(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
CID 118976608
(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;(6E)-7,11-dimethyl-3-methylidenedodeca-1,6-diene;(3E)-3,7,11-trimethyldodeca-1,3,10-triene;(3E,6E)-3,7,11-trimethyldodeca-1,3,6-triene;(5E,10E)-2,6,10-trimethyldodeca-2,5,10-triene;(6E)-3,7,11-trimethyldodeca-1,6,10-triene;(6E,9E)-2,6,10-trimethyldodeca-2,6,9-triene;(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene
CID 161488636
(3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
CID 14753114
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene
CID 10465989
(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene
CID 22236783
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
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

Frequently Asked Questions

What is the IUPAC name of (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene?
The IUPAC name of (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene (CID 158402923) is (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene.
What is the SMILES notation for (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene?
The canonical SMILES for (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene is C.C=C/C(C)=C/C/C=C(\C)CCC=C(C)C.C=CC(=C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene?
The InChIKey is GYIBGFZQJRKKBU-CMRAZTEISA-N. The full InChI is InChI=1S/2C15H24.CH4/c2*1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;/h6,9-10,12H,1,7-8,11H2,2-5H3;6,9,12H,1,4,7-8,10-11H2,2-3,5H3;1H4/b14-10+,15-12+;15-12+;.
What are the key properties of (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene?
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene has a molecular weight of 424.76 g/mol, XLogP of 11.04, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene is sourced from PubChem (CID 158402923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).