4,8,8-trimethylnona-1,6-diene

C12H22 — CID 173093207

IUPAC4,8,8-trimethylnona-1,6-diene
SMILESC=CCC(C)CC=CC(C)(C)C
InChIInChI=1S/C12H22/c1-6-8-11(2)9-7-10-12(3,4)5/h6-7,10-11H,1,8-9H2,2-5H3
InChIKeyPXQSZSNIHIVHJF-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds4

About 4,8,8-trimethylnona-1,6-diene

4,8,8-trimethylnona-1,6-diene (PubChem CID 173093207) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4,8,8-trimethylnona-1,6-diene.

Molecular Properties

Compound Name4,8,8-trimethylnona-1,6-diene
PubChem CID173093207
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4,8,8-trimethylnona-1,6-diene
SMILESC=CCC(C)CC=CC(C)(C)C
InChIInChI=1S/C12H22/c1-6-8-11(2)9-7-10-12(3,4)5/h6-7,10-11H,1,8-9H2,2-5H3
InChIKeyPXQSZSNIHIVHJF-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,8,8-pentamethylnon-3-ene
CID 140692127
(E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 89109451
4-methyldodeca-1,6,8,10-tetraene
CID 123717396
2,3,7,7-tetramethylocta-1,5-diene
CID 54573409
(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 123712551
(4S)-5-iodo-4-methylpent-1-ene
CID 101059144
methane;(6S)-6-methoxy-2,2,7-trimethyloct-3-ene
CID 159032616
4-methylhepta-1,6-diene-1,1-diamine
CID 88988242
sodium;hydride;4-methylhex-1-ene
CID 173048656
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
2,6-dimethyloct-3-en-2-ol
CID 3019835
(7E)-4-methylnona-1,7-diene
CID 173060914

Frequently Asked Questions

What is the IUPAC name of 4,8,8-trimethylnona-1,6-diene?
The IUPAC name of 4,8,8-trimethylnona-1,6-diene (CID 173093207) is 4,8,8-trimethylnona-1,6-diene.
What is the SMILES notation for 4,8,8-trimethylnona-1,6-diene?
The canonical SMILES for 4,8,8-trimethylnona-1,6-diene is C=CCC(C)CC=CC(C)(C)C.
What is the InChIKey of 4,8,8-trimethylnona-1,6-diene?
The InChIKey is PXQSZSNIHIVHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-6-8-11(2)9-7-10-12(3,4)5/h6-7,10-11H,1,8-9H2,2-5H3.
What are the key properties of 4,8,8-trimethylnona-1,6-diene?
4,8,8-trimethylnona-1,6-diene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,8-trimethylnona-1,6-diene is sourced from PubChem (CID 173093207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).