2,5,5,8-tetramethylnon-2-ene

C13H26 — CID 174643614

IUPAC2,5,5,8-tetramethylnon-2-ene
SMILESCC(C)=CCC(C)(C)CCC(C)C
InChIInChI=1S/C13H26/c1-11(2)7-9-13(5,6)10-8-12(3)4/h7,12H,8-10H2,1-6H3
InChIKeyJYPAAUOKHSFDMT-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds5

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

2,5,5,8-tetramethylnon-2-ene (PubChem CID 174643614) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2,5,5,8-tetramethylnon-2-ene.

Molecular Properties

Compound Name2,5,5,8-tetramethylnon-2-ene
PubChem CID174643614
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2,5,5,8-tetramethylnon-2-ene
SMILESCC(C)=CCC(C)(C)CCC(C)C
InChIInChI=1S/C13H26/c1-11(2)7-9-13(5,6)10-8-12(3)4/h7,12H,8-10H2,1-6H3
InChIKeyJYPAAUOKHSFDMT-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
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

3,3,6-trimethylhept-5-en-1-ol
CID 20504089
2,4,4,7-tetramethyloct-6-enal
CID 88919833
(5E)-3,3,6,8,8,11-hexamethyldodeca-5,10-diene-1-thiol
CID 88849763
2,5,8-trimethylnonan-5-ol
CID 58574498
2,3,6,6,8-pentamethylnona-1,3-diene
CID 173422960
ethane;2,3,6,6,9-pentamethyldecane
CID 156735822
3,3,6-trimethylheptan-2-one
CID 55274452
(3R)-3,6-dimethylhept-5-ene-1,3-diol
CID 154719567
(Z)-2,2,4,7,7-pentamethyloct-4-ene;(E)-2,2,4,7,7-pentamethyloct-4-ene;2,5,5-trimethylhex-2-ene
CID 158213793
2,2,5-trimethylhexyliminotungsten
CID 177070498
5-ethyl-2,5-dimethylhept-2-ene
CID 123530387
2,5-dimethylhexan-2-ol;ethene
CID 144803935

Frequently Asked Questions

What is the IUPAC name of 2,5,5,8-tetramethylnon-2-ene?
The IUPAC name of 2,5,5,8-tetramethylnon-2-ene (CID 174643614) is 2,5,5,8-tetramethylnon-2-ene.
What is the SMILES notation for 2,5,5,8-tetramethylnon-2-ene?
The canonical SMILES for 2,5,5,8-tetramethylnon-2-ene is CC(C)=CCC(C)(C)CCC(C)C.
What is the InChIKey of 2,5,5,8-tetramethylnon-2-ene?
The InChIKey is JYPAAUOKHSFDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-11(2)7-9-13(5,6)10-8-12(3)4/h7,12H,8-10H2,1-6H3.
What are the key properties of 2,5,5,8-tetramethylnon-2-ene?
2,5,5,8-tetramethylnon-2-ene has a molecular weight of 182.35 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,8-tetramethylnon-2-ene is sourced from PubChem (CID 174643614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).