3,7,8-trimethylnon-4-ene

C12H24 — CID 91465939

IUPAC3,7,8-trimethylnon-4-ene
SMILESCCC(C)C=CCC(C)C(C)C
InChIInChI=1S/C12H24/c1-6-11(4)8-7-9-12(5)10(2)3/h7-8,10-12H,6,9H2,1-5H3
InChIKeyAXMLCIQIWWASHG-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.27
Rot. Bonds5

About 3,7,8-trimethylnon-4-ene

3,7,8-trimethylnon-4-ene (PubChem CID 91465939) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3,7,8-trimethylnon-4-ene.

Molecular Properties

Compound Name3,7,8-trimethylnon-4-ene
PubChem CID91465939
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3,7,8-trimethylnon-4-ene
SMILESCCC(C)C=CCC(C)C(C)C
InChIInChI=1S/C12H24/c1-6-11(4)8-7-9-12(5)10(2)3/h7-8,10-12H,6,9H2,1-5H3
InChIKeyAXMLCIQIWWASHG-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.27
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

(E,6S)-2,6,7-trimethyloct-3-ene
CID 161076844
(2E,6E)-4,8-dimethyldeca-2,6-diene
CID 173250236
(Z)-5-methylhept-3-ene
CID 5364727
3,6-dimethyloct-4-ene
CID 73165576
(E)-4-methylhex-2-en-1-ol
CID 12036147
(3R,7R)-3,7-dimethylnon-5-enenitrile
CID 91063106
8,9-dimethyl-4-propan-2-ylundec-5-ene
CID 123486023
2,2,6-trimethyloct-4-ene
CID 91281227
(E)-3-methylnon-4-ene
CID 13082837
(E)-3-methyldec-4-ene
CID 5364642
4-methyl-N-propan-2-ylhex-2-en-1-amine
CID 115278158
(Z)-1,1,1-trifluoro-5-methylhept-3-ene
CID 154518878

Frequently Asked Questions

What is the IUPAC name of 3,7,8-trimethylnon-4-ene?
The IUPAC name of 3,7,8-trimethylnon-4-ene (CID 91465939) is 3,7,8-trimethylnon-4-ene.
What is the SMILES notation for 3,7,8-trimethylnon-4-ene?
The canonical SMILES for 3,7,8-trimethylnon-4-ene is CCC(C)C=CCC(C)C(C)C.
What is the InChIKey of 3,7,8-trimethylnon-4-ene?
The InChIKey is AXMLCIQIWWASHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-11(4)8-7-9-12(5)10(2)3/h7-8,10-12H,6,9H2,1-5H3.
What are the key properties of 3,7,8-trimethylnon-4-ene?
3,7,8-trimethylnon-4-ene has a molecular weight of 168.32 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8-trimethylnon-4-ene is sourced from PubChem (CID 91465939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).