(3Z)-2,7-dimethylocta-1,3,6-triene;ethene

C12H20 — CID 143233879

IUPAC(3Z)-2,7-dimethylocta-1,3,6-triene;ethene
SMILESC=C.C=C(C)/C=C\CC=C(C)C
InChIInChI=1S/C10H16.C2H4/c1-9(2)7-5-6-8-10(3)4;1-2/h5,7-8H,1,6H2,2-4H3;1-2H2/b7-5-;
InChIKeyWJYLPAJKZXTZQB-YJOCEBFMSA-N
MW164.29 g/mol
LogP4.28
Rot. Bonds3

About (3Z)-2,7-dimethylocta-1,3,6-triene;ethene

(3Z)-2,7-dimethylocta-1,3,6-triene;ethene (PubChem CID 143233879) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (3Z)-2,7-dimethylocta-1,3,6-triene;ethene.

Molecular Properties

Compound Name(3Z)-2,7-dimethylocta-1,3,6-triene;ethene
PubChem CID143233879
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(3Z)-2,7-dimethylocta-1,3,6-triene;ethene
SMILESC=C.C=C(C)/C=C\CC=C(C)C
InChIInChI=1S/C10H16.C2H4/c1-9(2)7-5-6-8-10(3)4;1-2/h5,7-8H,1,6H2,2-4H3;1-2H2/b7-5-;
InChIKeyWJYLPAJKZXTZQB-YJOCEBFMSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.28
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'}

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Related Compounds

(2E)-6-methylhepta-2,5-dienoic acid
CID 55299219
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
2-methylundeca-1,3,6,10-tetraene
CID 123646440
(3Z,5Z)-2,10-dimethylundeca-1,3,5,9-tetraene
CID 143275541
(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887
ethyl 6-methylhepta-2,5-dienoate
CID 71346982
ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene
CID 178113371
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
8-methylnona-2,4,7-triene
CID 152746418
(4E)-10-methyl-6-methylideneundeca-1,4,9-triene
CID 162518511

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,7-dimethylocta-1,3,6-triene;ethene?
The IUPAC name of (3Z)-2,7-dimethylocta-1,3,6-triene;ethene (CID 143233879) is (3Z)-2,7-dimethylocta-1,3,6-triene;ethene.
What is the SMILES notation for (3Z)-2,7-dimethylocta-1,3,6-triene;ethene?
The canonical SMILES for (3Z)-2,7-dimethylocta-1,3,6-triene;ethene is C=C.C=C(C)/C=C\CC=C(C)C.
What is the InChIKey of (3Z)-2,7-dimethylocta-1,3,6-triene;ethene?
The InChIKey is WJYLPAJKZXTZQB-YJOCEBFMSA-N. The full InChI is InChI=1S/C10H16.C2H4/c1-9(2)7-5-6-8-10(3)4;1-2/h5,7-8H,1,6H2,2-4H3;1-2H2/b7-5-;.
What are the key properties of (3Z)-2,7-dimethylocta-1,3,6-triene;ethene?
(3Z)-2,7-dimethylocta-1,3,6-triene;ethene has a molecular weight of 164.29 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,7-dimethylocta-1,3,6-triene;ethene is sourced from PubChem (CID 143233879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).