3,6,7-trimethylnon-2-ene

C12H24 — CID 123488713

IUPAC3,6,7-trimethylnon-2-ene
SMILESCC=C(C)CCC(C)C(C)CC
InChIInChI=1S/C12H24/c1-6-10(3)8-9-12(5)11(4)7-2/h6,11-12H,7-9H2,1-5H3
InChIKeyAEMPXWPIWHAGHC-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds5

About 3,6,7-trimethylnon-2-ene

3,6,7-trimethylnon-2-ene (PubChem CID 123488713) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3,6,7-trimethylnon-2-ene.

Molecular Properties

Compound Name3,6,7-trimethylnon-2-ene
PubChem CID123488713
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3,6,7-trimethylnon-2-ene
SMILESCC=C(C)CCC(C)C(C)CC
InChIInChI=1S/C12H24/c1-6-10(3)8-9-12(5)11(4)7-2/h6,11-12H,7-9H2,1-5H3
InChIKeyAEMPXWPIWHAGHC-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2,7,8-trimethyldec-3-ene
CID 123995060
3,7,8-trimethylhenicos-2-ene
CID 141187022
3,7,8-trimethyloctadec-2-ene
CID 141187025
5,6,9,10-tetramethyldodec-5-ene
CID 123162006
2,6-dimethyloct-1-ene-1,5-diol
CID 173308761
7,8-dimethyldec-2-ene
CID 123474152
(3R)-3,4-dimethylheptane
CID 59819300
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(E)-7-methylnon-7-en-2-ol
CID 87112296
(3R)-2,6-dimethyloct-6-ene-2,3-diol
CID 141318928
7-methylnon-7-en-2-ol
CID 123441222
(Z)-4,5-dimethylhept-2-en-3-ol
CID 5366237

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethylnon-2-ene?
The IUPAC name of 3,6,7-trimethylnon-2-ene (CID 123488713) is 3,6,7-trimethylnon-2-ene.
What is the SMILES notation for 3,6,7-trimethylnon-2-ene?
The canonical SMILES for 3,6,7-trimethylnon-2-ene is CC=C(C)CCC(C)C(C)CC.
What is the InChIKey of 3,6,7-trimethylnon-2-ene?
The InChIKey is AEMPXWPIWHAGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-10(3)8-9-12(5)11(4)7-2/h6,11-12H,7-9H2,1-5H3.
What are the key properties of 3,6,7-trimethylnon-2-ene?
3,6,7-trimethylnon-2-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 3,6,7-trimethylnon-2-ene is sourced from PubChem (CID 123488713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).