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

C15H24 — CID 5281517

IUPAC(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
SMILESC=CC(=C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
InChIKeyJSNRRGGBADWTMC-NTCAYCPXSA-N
MW204.36 g/mol
LogP5.20
Rot. Bonds7

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

(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene (PubChem CID 5281517) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene.

Molecular Properties

Compound Name(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
PubChem CID5281517
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
SMILESC=CC(=C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
InChIKeyJSNRRGGBADWTMC-NTCAYCPXSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene?
The IUPAC name of (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene (CID 5281517) is (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene.
What is the SMILES notation for (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene?
The canonical SMILES for (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene is 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?
The InChIKey is JSNRRGGBADWTMC-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+.
What are the key properties of (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene?
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene has a molecular weight of 204.36 g/mol, XLogP of 5.20, 7 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 is sourced from PubChem (CID 5281517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).