2,3,5,8-tetramethylnon-1-ene

C13H26 — CID 123958758

IUPAC2,3,5,8-tetramethylnon-1-ene
SMILESC=C(C)C(C)CC(C)CCC(C)C
InChIInChI=1S/C13H26/c1-10(2)7-8-12(5)9-13(6)11(3)4/h10,12-13H,3,7-9H2,1-2,4-6H3
InChIKeyZITOTSRANCNHKY-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.66
Rot. Bonds6

About 2,3,5,8-tetramethylnon-1-ene

2,3,5,8-tetramethylnon-1-ene (PubChem CID 123958758) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2,3,5,8-tetramethylnon-1-ene.

Molecular Properties

Compound Name2,3,5,8-tetramethylnon-1-ene
PubChem CID123958758
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2,3,5,8-tetramethylnon-1-ene
SMILESC=C(C)C(C)CC(C)CCC(C)C
InChIInChI=1S/C13H26/c1-10(2)7-8-12(5)9-13(6)11(3)4/h10,12-13H,3,7-9H2,1-2,4-6H3
InChIKeyZITOTSRANCNHKY-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.66
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

2,3,5,7,8-pentamethylnon-1-ene
CID 177053825
2,3,7-trimethyloct-1-ene
CID 123245102
2,6-dimethylhept-1-en-3-ol
CID 13208265
N,2,6-trimethylhept-1-en-3-amine
CID 79190078
3,5,8-trimethylnon-1-ene
CID 123935828
3,4-dimethylpent-4-en-1-ol
CID 14417455
2-bromo-4,7-dimethyloctane
CID 64718592
2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
CID 158252913
2,3,6,7,10-pentamethyldodec-1-ene;propane
CID 145235190
ethane;2-methylpropane;propane;2,4,7-trimethyloctane
CID 144533739
4,7-dimethyloctan-2-one
CID 21437689
2,3-dimethylpent-1-ene;ethane
CID 143286891

Frequently Asked Questions

What is the IUPAC name of 2,3,5,8-tetramethylnon-1-ene?
The IUPAC name of 2,3,5,8-tetramethylnon-1-ene (CID 123958758) is 2,3,5,8-tetramethylnon-1-ene.
What is the SMILES notation for 2,3,5,8-tetramethylnon-1-ene?
The canonical SMILES for 2,3,5,8-tetramethylnon-1-ene is C=C(C)C(C)CC(C)CCC(C)C.
What is the InChIKey of 2,3,5,8-tetramethylnon-1-ene?
The InChIKey is ZITOTSRANCNHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-10(2)7-8-12(5)9-13(6)11(3)4/h10,12-13H,3,7-9H2,1-2,4-6H3.
What are the key properties of 2,3,5,8-tetramethylnon-1-ene?
2,3,5,8-tetramethylnon-1-ene has a molecular weight of 182.35 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,8-tetramethylnon-1-ene is sourced from PubChem (CID 123958758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).