6,8,8-trimethylnon-1-ene

C12H24 — CID 55273877

IUPAC6,8,8-trimethylnon-1-ene
SMILESC=CCCCC(C)CC(C)(C)C
InChIInChI=1S/C12H24/c1-6-7-8-9-11(2)10-12(3,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeyQVIUTVYJAMUNAB-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds5

About 6,8,8-trimethylnon-1-ene

6,8,8-trimethylnon-1-ene (PubChem CID 55273877) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 6,8,8-trimethylnon-1-ene.

Molecular Properties

Compound Name6,8,8-trimethylnon-1-ene
PubChem CID55273877
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name6,8,8-trimethylnon-1-ene
SMILESC=CCCCC(C)CC(C)(C)C
InChIInChI=1S/C12H24/c1-6-7-8-9-11(2)10-12(3,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeyQVIUTVYJAMUNAB-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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8,10,10-trimethylundec-1-en-6-ylhydrazine
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CID 107012033
(4R)-2,2,4,8-tetramethylnonane
CID 140612986
hexane;2,2,4-trimethyloctane
CID 174278610
2,2,4-trimethylundecane
CID 57127021
2,2,4-trimethyltetradecane
CID 19913540
6-bromohept-1-ene
CID 12722403
2,6-dimethyldec-9-en-2-ol
CID 154162071
11-methyltridec-1-ene
CID 528465
7-methylundec-1-ene
CID 522554
4,6,6-trimethyl-1-methylsulfanylheptane
CID 130294531

Frequently Asked Questions

What is the IUPAC name of 6,8,8-trimethylnon-1-ene?
The IUPAC name of 6,8,8-trimethylnon-1-ene (CID 55273877) is 6,8,8-trimethylnon-1-ene.
What is the SMILES notation for 6,8,8-trimethylnon-1-ene?
The canonical SMILES for 6,8,8-trimethylnon-1-ene is C=CCCCC(C)CC(C)(C)C.
What is the InChIKey of 6,8,8-trimethylnon-1-ene?
The InChIKey is QVIUTVYJAMUNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-7-8-9-11(2)10-12(3,4)5/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 6,8,8-trimethylnon-1-ene?
6,8,8-trimethylnon-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-trimethylnon-1-ene is sourced from PubChem (CID 55273877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).