5,6,8-trimethylnon-1-ene

C12H24 — CID 123478459

IUPAC5,6,8-trimethylnon-1-ene
SMILESC=CCCC(C)C(C)CC(C)C
InChIInChI=1S/C12H24/c1-6-7-8-11(4)12(5)9-10(2)3/h6,10-12H,1,7-9H2,2-5H3
InChIKeyRHWWKJQPYSAXBJ-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.27
Rot. Bonds6

About 5,6,8-trimethylnon-1-ene

5,6,8-trimethylnon-1-ene (PubChem CID 123478459) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 5,6,8-trimethylnon-1-ene.

Molecular Properties

Compound Name5,6,8-trimethylnon-1-ene
PubChem CID123478459
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name5,6,8-trimethylnon-1-ene
SMILESC=CCCC(C)C(C)CC(C)C
InChIInChI=1S/C12H24/c1-6-7-8-11(4)12(5)9-10(2)3/h6,10-12H,1,7-9H2,2-5H3
InChIKeyRHWWKJQPYSAXBJ-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 5,6,8-trimethylnon-1-ene?
The IUPAC name of 5,6,8-trimethylnon-1-ene (CID 123478459) is 5,6,8-trimethylnon-1-ene.
What is the SMILES notation for 5,6,8-trimethylnon-1-ene?
The canonical SMILES for 5,6,8-trimethylnon-1-ene is C=CCCC(C)C(C)CC(C)C.
What is the InChIKey of 5,6,8-trimethylnon-1-ene?
The InChIKey is RHWWKJQPYSAXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-7-8-11(4)12(5)9-10(2)3/h6,10-12H,1,7-9H2,2-5H3.
What are the key properties of 5,6,8-trimethylnon-1-ene?
5,6,8-trimethylnon-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trimethylnon-1-ene is sourced from PubChem (CID 123478459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).