(2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene

C15H26 — CID 98562862

IUPAC(2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene
SMILESC/C=C(C)\C=C/C[C@@H](C)CCC=C(C)C
InChIInChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,15H,7,11-12H2,1-5H3/b10-8-,14-6-/t15-/m0/s1
InChIKeyGIBJEWOSWWYJSK-LRULAVAVSA-N
MW206.37 g/mol
LogP5.28
Rot. Bonds6

About (2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene

(2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene (PubChem CID 98562862) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene.

Molecular Properties

Compound Name(2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene
PubChem CID98562862
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene
SMILESC/C=C(C)\C=C/C[C@@H](C)CCC=C(C)C
InChIInChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,15H,7,11-12H2,1-5H3/b10-8-,14-6-/t15-/m0/s1
InChIKeyGIBJEWOSWWYJSK-LRULAVAVSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.28
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'}

Analyze (2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene
CID 15276139
(2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene
CID 134982878
methyl (4Z)-3,7,11-trimethyldodeca-2,4,10-trienoate
CID 86733723
propan-2-yl (4E)-3,7,11-trimethyldodeca-2,4,10-trienoate
CID 86733732
(1E)-1-chloro-4,8-dimethylnona-1,7-diene
CID 138971565
ethyl 3,7,11-trimethyldodeca-2,4,10-trienoate
CID 54528342
(2E)-3,7,11-trimethyldodeca-2,4-diene
CID 175358855
pentyl 3,7,11-trimethyldodeca-2,4,10-trienoate
CID 54562218
(8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,30-undecaene-6,7-diol
CID 87151296
(4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene
CID 11299561
[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene
CID 175723807
(2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide
CID 44561506

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene?
The IUPAC name of (2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene (CID 98562862) is (2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene.
What is the SMILES notation for (2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene?
The canonical SMILES for (2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene is C/C=C(C)\C=C/C[C@@H](C)CCC=C(C)C.
What is the InChIKey of (2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene?
The InChIKey is GIBJEWOSWWYJSK-LRULAVAVSA-N. The full InChI is InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,15H,7,11-12H2,1-5H3/b10-8-,14-6-/t15-/m0/s1.
What are the key properties of (2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene?
(2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene has a molecular weight of 206.37 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene is sourced from PubChem (CID 98562862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).