(2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene

C13H20 — CID 142044240

IUPAC(2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene
SMILESC/C=C\C/C=C\C(C)=C(C)\C=C/C
InChIInChI=1S/C13H20/c1-5-7-8-9-11-13(4)12(3)10-6-2/h5-7,9-11H,8H2,1-4H3/b7-5-,10-6-,11-9-,13-12+
InChIKeyGRYANIUGCMOCBT-BHXABJMWSA-N
MW176.30 g/mol
LogP4.42
Rot. Bonds4

About (2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene

(2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene (PubChem CID 142044240) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name(2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene
PubChem CID142044240
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene
SMILESC/C=C\C/C=C\C(C)=C(C)\C=C/C
InChIInChI=1S/C13H20/c1-5-7-8-9-11-13(4)12(3)10-6-2/h5-7,9-11H,8H2,1-4H3/b7-5-,10-6-,11-9-,13-12+
InChIKeyGRYANIUGCMOCBT-BHXABJMWSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.42
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

(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(4E,7E,11E)-2,3-dimethyltrideca-2,4,7,11-tetraene
CID 87328569
ethane;(2Z,5Z)-hepta-2,5-diene
CID 142853970
hepta-2,5-diene;rhodium
CID 159015179
4,5,6,7-tetramethylundeca-2,4,6,9-tetraene
CID 123835298
(4Z,7Z)-2-methylnona-2,4,7-triene
CID 144748240
(2Z,4Z,6Z)-4-methyl-5-propylocta-2,4,6-triene
CID 144517044
(4E)-1-chlorohexa-1,4-diene
CID 57257256
ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol
CID 143613129
(4E)-2-methylhexa-1,4-diene
CID 5367524
acetic acid;hexa-1,4-diene
CID 174398643
1-cyclohexyl-4-[(5Z,7E,9Z)-7,8-dimethyl-3-methylideneundeca-5,7,9-trienyl]cyclohexane
CID 173482142

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene?
The IUPAC name of (2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene (CID 142044240) is (2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene.
What is the SMILES notation for (2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene?
The canonical SMILES for (2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene is C/C=C\C/C=C\C(C)=C(C)\C=C/C.
What is the InChIKey of (2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene?
The InChIKey is GRYANIUGCMOCBT-BHXABJMWSA-N. The full InChI is InChI=1S/C13H20/c1-5-7-8-9-11-13(4)12(3)10-6-2/h5-7,9-11H,8H2,1-4H3/b7-5-,10-6-,11-9-,13-12+.
What are the key properties of (2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene?
(2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene has a molecular weight of 176.30 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene is sourced from PubChem (CID 142044240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).