7,11-dimethyl-3-methylidenedodeca-1,6,10-triene

C30H48 — CID 158652324

IUPAC7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
SMILESC=CC(=C)CCC=C(C)CCC=C(C)C.C=CC(=C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/2C15H24/c2*1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h2*6,9,12H,1,4,7-8,10-11H2,2-3,5H3
InChIKeyIBRZMSRKXBEGNR-UHFFFAOYSA-N
MW408.71 g/mol
LogP10.40
Rot. Bonds14

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

7,11-dimethyl-3-methylidenedodeca-1,6,10-triene (PubChem CID 158652324) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is 7,11-dimethyl-3-methylidenedodeca-1,6,10-triene.

Molecular Properties

Compound Name7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
PubChem CID158652324
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Name7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
SMILESC=CC(=C)CCC=C(C)CCC=C(C)C.C=CC(=C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/2C15H24/c2*1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h2*6,9,12H,1,4,7-8,10-11H2,2-3,5H3
InChIKeyIBRZMSRKXBEGNR-UHFFFAOYSA-N
XLogP10.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 510.40
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-methyl-3-methylideneocta-1,6-diene
CID 173118544
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate
CID 90389130
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
CID 101345792
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
(2Z)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienoic acid
CID 154812445
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859

Frequently Asked Questions

What is the IUPAC name of 7,11-dimethyl-3-methylidenedodeca-1,6,10-triene?
The IUPAC name of 7,11-dimethyl-3-methylidenedodeca-1,6,10-triene (CID 158652324) is 7,11-dimethyl-3-methylidenedodeca-1,6,10-triene.
What is the SMILES notation for 7,11-dimethyl-3-methylidenedodeca-1,6,10-triene?
The canonical SMILES for 7,11-dimethyl-3-methylidenedodeca-1,6,10-triene is C=CC(=C)CCC=C(C)CCC=C(C)C.C=CC(=C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 7,11-dimethyl-3-methylidenedodeca-1,6,10-triene?
The InChIKey is IBRZMSRKXBEGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24/c2*1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h2*6,9,12H,1,4,7-8,10-11H2,2-3,5H3.
What are the key properties of 7,11-dimethyl-3-methylidenedodeca-1,6,10-triene?
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene has a molecular weight of 408.71 g/mol, XLogP of 10.40, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dimethyl-3-methylidenedodeca-1,6,10-triene is sourced from PubChem (CID 158652324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).