(3E)-4,8-dimethylundeca-1,3,7-triene

C13H22 — CID 172676180

IUPAC(3E)-4,8-dimethylundeca-1,3,7-triene
SMILESC=C/C=C(\C)CCC=C(C)CCC
InChIInChI=1S/C13H22/c1-5-8-12(3)10-7-11-13(4)9-6-2/h5,8,11H,1,6-7,9-10H2,2-4H3/b12-8+,13-11?
InChIKeyPPFQRPLVFLBIGC-YUVOZZMTSA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds6

About (3E)-4,8-dimethylundeca-1,3,7-triene

(3E)-4,8-dimethylundeca-1,3,7-triene (PubChem CID 172676180) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (3E)-4,8-dimethylundeca-1,3,7-triene.

Molecular Properties

Compound Name(3E)-4,8-dimethylundeca-1,3,7-triene
PubChem CID172676180
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(3E)-4,8-dimethylundeca-1,3,7-triene
SMILESC=C/C=C(\C)CCC=C(C)CCC
InChIInChI=1S/C13H22/c1-5-8-12(3)10-7-11-13(4)9-6-2/h5,8,11H,1,6-7,9-10H2,2-4H3/b12-8+,13-11?
InChIKeyPPFQRPLVFLBIGC-YUVOZZMTSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.65
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

(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
8,12-dimethylpentadeca-8,12,14-trienoic acid
CID 91146885
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
4-methylnona-1,3-diene
CID 71327710
(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene
CID 58792498
2,6-dimethyl-10-methylidenetrideca-2,6-diene
CID 141408483
(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid
CID 172767387
(5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene
CID 145317472
(6E)-2,7-dimethyldeca-1,6-diene
CID 173073155
4-methylhexadec-4-ene
CID 174447790
10,10-diethyl-4-methyldodeca-1,3,7-triene
CID 123749703
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885

Frequently Asked Questions

What is the IUPAC name of (3E)-4,8-dimethylundeca-1,3,7-triene?
The IUPAC name of (3E)-4,8-dimethylundeca-1,3,7-triene (CID 172676180) is (3E)-4,8-dimethylundeca-1,3,7-triene.
What is the SMILES notation for (3E)-4,8-dimethylundeca-1,3,7-triene?
The canonical SMILES for (3E)-4,8-dimethylundeca-1,3,7-triene is C=C/C=C(\C)CCC=C(C)CCC.
What is the InChIKey of (3E)-4,8-dimethylundeca-1,3,7-triene?
The InChIKey is PPFQRPLVFLBIGC-YUVOZZMTSA-N. The full InChI is InChI=1S/C13H22/c1-5-8-12(3)10-7-11-13(4)9-6-2/h5,8,11H,1,6-7,9-10H2,2-4H3/b12-8+,13-11?.
What are the key properties of (3E)-4,8-dimethylundeca-1,3,7-triene?
(3E)-4,8-dimethylundeca-1,3,7-triene has a molecular weight of 178.32 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,8-dimethylundeca-1,3,7-triene is sourced from PubChem (CID 172676180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).