4-ethyl-4,8-dimethylnon-1-ene

C13H26 — CID 23657619

IUPAC4-ethyl-4,8-dimethylnon-1-ene
SMILESC=CCC(C)(CC)CCCC(C)C
InChIInChI=1S/C13H26/c1-6-10-13(5,7-2)11-8-9-12(3)4/h6,12H,1,7-11H2,2-5H3
InChIKeyODYYRQUJRMWDHL-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds7

About 4-ethyl-4,8-dimethylnon-1-ene

4-ethyl-4,8-dimethylnon-1-ene (PubChem CID 23657619) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 4-ethyl-4,8-dimethylnon-1-ene.

Molecular Properties

Compound Name4-ethyl-4,8-dimethylnon-1-ene
PubChem CID23657619
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name4-ethyl-4,8-dimethylnon-1-ene
SMILESC=CCC(C)(CC)CCCC(C)C
InChIInChI=1S/C13H26/c1-6-10-13(5,7-2)11-8-9-12(3)4/h6,12H,1,7-11H2,2-5H3
InChIKeyODYYRQUJRMWDHL-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

4-ethyl-4,7,7-trimethylnon-1-ene
CID 123137671
2-ethyl-2,6-dimethylheptanal
CID 57421645
4-methyl-4-propylhept-1-ene
CID 139926982
2-ethyl-2,6-dimethylheptanethial
CID 57421669
4-ethyl-2,2,4-trimethylhept-6-en-1-ol
CID 91612819
(5S)-3,5-diethyl-5-methyloct-7-en-2-amine
CID 88958075
2-methyl-2-[(5-methylhexylamino)methyl]butan-1-ol
CID 115324505
2-ethyl-N-(1-methoxyethyl)-2-methylpent-4-en-1-amine
CID 139312912
3-methylbut-1-ene;2-methylheptane
CID 157223055
4,4,7-trimethylundec-1-ene
CID 143332601
6-ethyl-2,6,7-trimethyldecane
CID 123269799
6-(chloromethyl)-6-methyloct-1-ene
CID 165446977

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,8-dimethylnon-1-ene?
The IUPAC name of 4-ethyl-4,8-dimethylnon-1-ene (CID 23657619) is 4-ethyl-4,8-dimethylnon-1-ene.
What is the SMILES notation for 4-ethyl-4,8-dimethylnon-1-ene?
The canonical SMILES for 4-ethyl-4,8-dimethylnon-1-ene is C=CCC(C)(CC)CCCC(C)C.
What is the InChIKey of 4-ethyl-4,8-dimethylnon-1-ene?
The InChIKey is ODYYRQUJRMWDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-10-13(5,7-2)11-8-9-12(3)4/h6,12H,1,7-11H2,2-5H3.
What are the key properties of 4-ethyl-4,8-dimethylnon-1-ene?
4-ethyl-4,8-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 4-ethyl-4,8-dimethylnon-1-ene is sourced from PubChem (CID 23657619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).