5-ethyl-2,4-dimethylnon-1-ene

C13H26 — CID 145461999

IUPAC5-ethyl-2,4-dimethylnon-1-ene
SMILESC=C(C)CC(C)C(CC)CCCC
InChIInChI=1S/C13H26/c1-6-8-9-13(7-2)12(5)10-11(3)4/h12-13H,3,6-10H2,1-2,4-5H3
InChIKeyPVGNXECMNPUUEU-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds7

About 5-ethyl-2,4-dimethylnon-1-ene

5-ethyl-2,4-dimethylnon-1-ene (PubChem CID 145461999) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 5-ethyl-2,4-dimethylnon-1-ene.

Molecular Properties

Compound Name5-ethyl-2,4-dimethylnon-1-ene
PubChem CID145461999
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name5-ethyl-2,4-dimethylnon-1-ene
SMILESC=C(C)CC(C)C(CC)CCCC
InChIInChI=1S/C13H26/c1-6-8-9-13(7-2)12(5)10-11(3)4/h12-13H,3,6-10H2,1-2,4-5H3
InChIKeyPVGNXECMNPUUEU-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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

5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
4,5-diethylnonane
CID 21188862
5-ethyl-4-methylnon-1-ene
CID 22027489
6-ethyl-2-methyldec-1-en-5-amine
CID 105039210
2,4-dimethylnon-1-ene
CID 55268908
5,6-diethyldodecane
CID 90761715
4-ethyl-3-methylundecane
CID 57279647
8-ethyl-7-methylhexadecane
CID 56974440
5-butyl-6-ethyldodecane
CID 529932
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
5,7-diethylundecan-6-ol
CID 89253066
9,10-diethyloctadecane
CID 530164

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,4-dimethylnon-1-ene?
The IUPAC name of 5-ethyl-2,4-dimethylnon-1-ene (CID 145461999) is 5-ethyl-2,4-dimethylnon-1-ene.
What is the SMILES notation for 5-ethyl-2,4-dimethylnon-1-ene?
The canonical SMILES for 5-ethyl-2,4-dimethylnon-1-ene is C=C(C)CC(C)C(CC)CCCC.
What is the InChIKey of 5-ethyl-2,4-dimethylnon-1-ene?
The InChIKey is PVGNXECMNPUUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-8-9-13(7-2)12(5)10-11(3)4/h12-13H,3,6-10H2,1-2,4-5H3.
What are the key properties of 5-ethyl-2,4-dimethylnon-1-ene?
5-ethyl-2,4-dimethylnon-1-ene has a molecular weight of 182.35 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,4-dimethylnon-1-ene is sourced from PubChem (CID 145461999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).