(7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene

C18H26 — CID 162524809

IUPAC(7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene
SMILESC=CC=C=C(CCCC)C/C(C)=C/C=C(/C)C=C
InChIInChI=1S/C18H26/c1-6-9-11-18(12-10-7-2)15-17(5)14-13-16(4)8-3/h6,8-9,13-14H,1,3,7,10,12,15H2,2,4-5H3/b16-13-,17-14+
InChIKeyOATCHWNRBDYQGI-FEUFJANWSA-N
MW242.41 g/mol
LogP5.91
Rot. Bonds8

About (7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene

(7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene (PubChem CID 162524809) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is (7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene.

Molecular Properties

Compound Name(7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene
PubChem CID162524809
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name(7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene
SMILESC=CC=C=C(CCCC)C/C(C)=C/C=C(/C)C=C
InChIInChI=1S/C18H26/c1-6-9-11-18(12-10-7-2)15-17(5)14-13-16(4)8-3/h6,8-9,13-14H,1,3,7,10,12,15H2,2,4-5H3/b16-13-,17-14+
InChIKeyOATCHWNRBDYQGI-FEUFJANWSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 71327710
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CID 15721129
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
3,6-dimethylnona-1,3,5,8-tetraene
CID 90934144
(2E,4E)-2-ethenyl-5-methylnona-2,4-dienamide
CID 89153831
(3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene
CID 169188657
(3E)-3-methylnona-1,3-diene
CID 13382655
(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane
CID 143902080
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(3Z)-3-methyldodeca-1,3-diene
CID 13382661
(3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine
CID 144512992

Frequently Asked Questions

What is the IUPAC name of (7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene?
The IUPAC name of (7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene (CID 162524809) is (7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene.
What is the SMILES notation for (7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene?
The canonical SMILES for (7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene is C=CC=C=C(CCCC)C/C(C)=C/C=C(/C)C=C.
What is the InChIKey of (7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene?
The InChIKey is OATCHWNRBDYQGI-FEUFJANWSA-N. The full InChI is InChI=1S/C18H26/c1-6-9-11-18(12-10-7-2)15-17(5)14-13-16(4)8-3/h6,8-9,13-14H,1,3,7,10,12,15H2,2,4-5H3/b16-13-,17-14+.
What are the key properties of (7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene?
(7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene has a molecular weight of 242.41 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9Z)-5-butyl-7,10-dimethyldodeca-1,3,4,7,9,11-hexaene is sourced from PubChem (CID 162524809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).