4,8,8-trimethylnona-3,5-diene

C12H22 — CID 123895816

IUPAC4,8,8-trimethylnona-3,5-diene
SMILESCCC=C(C)C=CCC(C)(C)C
InChIInChI=1S/C12H22/c1-6-8-11(2)9-7-10-12(3,4)5/h7-9H,6,10H2,1-5H3
InChIKeyCHPMNXWDMNLOQQ-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds3

About 4,8,8-trimethylnona-3,5-diene

4,8,8-trimethylnona-3,5-diene (PubChem CID 123895816) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4,8,8-trimethylnona-3,5-diene.

Molecular Properties

Compound Name4,8,8-trimethylnona-3,5-diene
PubChem CID123895816
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4,8,8-trimethylnona-3,5-diene
SMILESCCC=C(C)C=CCC(C)(C)C
InChIInChI=1S/C12H22/c1-6-8-11(2)9-7-10-12(3,4)5/h7-9H,6,10H2,1-5H3
InChIKeyCHPMNXWDMNLOQQ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
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

(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
(2E,4E)-4-methylhepta-2,4-dien-1-ol
CID 10654230
(3Z,5Z)-2-fluoro-2,5-dimethylocta-3,5-diene
CID 138465029
(3E)-4-methyldeca-3,5-diene
CID 173452678
3-methylhexa-1,3-dien-1-ol
CID 154284508
(4Z,6Z)-6-methylnona-4,6-dien-1-yne
CID 143682413
benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
CID 144597093
ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
CID 142050106
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
CID 88906035
(3Z,5Z)-N,5-dimethylocta-1,3,5-trien-2-amine
CID 166102143
methyl (3Z,5Z)-5-methylocta-3,5-dienoate
CID 142150538
2,2-dimethylbutane;2-methylbut-2-ene
CID 142603024

Frequently Asked Questions

What is the IUPAC name of 4,8,8-trimethylnona-3,5-diene?
The IUPAC name of 4,8,8-trimethylnona-3,5-diene (CID 123895816) is 4,8,8-trimethylnona-3,5-diene.
What is the SMILES notation for 4,8,8-trimethylnona-3,5-diene?
The canonical SMILES for 4,8,8-trimethylnona-3,5-diene is CCC=C(C)C=CCC(C)(C)C.
What is the InChIKey of 4,8,8-trimethylnona-3,5-diene?
The InChIKey is CHPMNXWDMNLOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-6-8-11(2)9-7-10-12(3,4)5/h7-9H,6,10H2,1-5H3.
What are the key properties of 4,8,8-trimethylnona-3,5-diene?
4,8,8-trimethylnona-3,5-diene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,8-trimethylnona-3,5-diene is sourced from PubChem (CID 123895816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).