(7E,9Z)-2,7-dimethylundeca-1,7,9-triene

C13H22 — CID 142166424

IUPAC(7E,9Z)-2,7-dimethylundeca-1,7,9-triene
SMILESC=C(C)CCCC/C(C)=C/C=C\C
InChIInChI=1S/C13H22/c1-5-6-10-13(4)11-8-7-9-12(2)3/h5-6,10H,2,7-9,11H2,1,3-4H3/b6-5-,13-10+
InChIKeyFYWQQSQXZMNDID-UHYAQULISA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds6

About (7E,9Z)-2,7-dimethylundeca-1,7,9-triene

(7E,9Z)-2,7-dimethylundeca-1,7,9-triene (PubChem CID 142166424) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (7E,9Z)-2,7-dimethylundeca-1,7,9-triene.

Molecular Properties

Compound Name(7E,9Z)-2,7-dimethylundeca-1,7,9-triene
PubChem CID142166424
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(7E,9Z)-2,7-dimethylundeca-1,7,9-triene
SMILESC=C(C)CCCC/C(C)=C/C=C\C
InChIInChI=1S/C13H22/c1-5-6-10-13(4)11-8-7-9-12(2)3/h5-6,10H,2,7-9,11H2,1,3-4H3/b6-5-,13-10+
InChIKeyFYWQQSQXZMNDID-UHYAQULISA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 14899750
(2E,4E)-5-methyldodeca-2,4-diene
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(7E)-2-methylnona-1,7-diene
CID 23197153
2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
(2Z,4Z)-5-methyl-6-methylidenedodeca-2,4-diene
CID 143693858
(2Z,4E)-5,9-dimethyldodeca-2,4-diene
CID 143714794
(5E,7Z)-5-methylnona-5,7-dien-2-ol
CID 142261527
8-chloro-2-methyloct-1-ene
CID 24721692
2,8-dimethyldodeca-1,8-diene
CID 91581739
N-(2-methylhexa-2,4-dienyl)ethanimine
CID 123470276
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307

Frequently Asked Questions

What is the IUPAC name of (7E,9Z)-2,7-dimethylundeca-1,7,9-triene?
The IUPAC name of (7E,9Z)-2,7-dimethylundeca-1,7,9-triene (CID 142166424) is (7E,9Z)-2,7-dimethylundeca-1,7,9-triene.
What is the SMILES notation for (7E,9Z)-2,7-dimethylundeca-1,7,9-triene?
The canonical SMILES for (7E,9Z)-2,7-dimethylundeca-1,7,9-triene is C=C(C)CCCC/C(C)=C/C=C\C.
What is the InChIKey of (7E,9Z)-2,7-dimethylundeca-1,7,9-triene?
The InChIKey is FYWQQSQXZMNDID-UHYAQULISA-N. The full InChI is InChI=1S/C13H22/c1-5-6-10-13(4)11-8-7-9-12(2)3/h5-6,10H,2,7-9,11H2,1,3-4H3/b6-5-,13-10+.
What are the key properties of (7E,9Z)-2,7-dimethylundeca-1,7,9-triene?
(7E,9Z)-2,7-dimethylundeca-1,7,9-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 (7E,9Z)-2,7-dimethylundeca-1,7,9-triene is sourced from PubChem (CID 142166424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).