3-ethyl-2,3-dimethylnonane

C13H28 — CID 57490996

IUPAC3-ethyl-2,3-dimethylnonane
SMILESCCCCCCC(C)(CC)C(C)C
InChIInChI=1S/C13H28/c1-6-8-9-10-11-13(5,7-2)12(3)4/h12H,6-11H2,1-5H3
InChIKeyOMBLYWVEFSJQJQ-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.03
Rot. Bonds7

About 3-ethyl-2,3-dimethylnonane

3-ethyl-2,3-dimethylnonane (PubChem CID 57490996) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3-ethyl-2,3-dimethylnonane.

Molecular Properties

Compound Name3-ethyl-2,3-dimethylnonane
PubChem CID57490996
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3-ethyl-2,3-dimethylnonane
SMILESCCCCCCC(C)(CC)C(C)C
InChIInChI=1S/C13H28/c1-6-8-9-10-11-13(5,7-2)12(3)4/h12H,6-11H2,1-5H3
InChIKeyOMBLYWVEFSJQJQ-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2,3-dimethyldecane
CID 57491701
6-methyl-6-propan-2-ylundecane
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(3S)-3-ethyl-2,3-dimethylhexane
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N,2-dimethyl-2-propan-2-yloctan-1-amine
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CID 83151435
4,6-diethyl-N,4,6-trimethyldodecan-5-amine
CID 91364063
2-methyl-2-propan-2-yl-N-propyloctan-1-amine
CID 83159495
4-ethyl-3,4-dimethylundecan-1-ol
CID 123259629
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
2,3,3-trimethyloctadecane
CID 90966938
N-tert-butyl-2-methyl-2-propan-2-ylheptan-1-amine
CID 83150707
3,3-diethyl-2-methyldodecane
CID 151072312

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dimethylnonane?
The IUPAC name of 3-ethyl-2,3-dimethylnonane (CID 57490996) is 3-ethyl-2,3-dimethylnonane.
What is the SMILES notation for 3-ethyl-2,3-dimethylnonane?
The canonical SMILES for 3-ethyl-2,3-dimethylnonane is CCCCCCC(C)(CC)C(C)C.
What is the InChIKey of 3-ethyl-2,3-dimethylnonane?
The InChIKey is OMBLYWVEFSJQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-6-8-9-10-11-13(5,7-2)12(3)4/h12H,6-11H2,1-5H3.
What are the key properties of 3-ethyl-2,3-dimethylnonane?
3-ethyl-2,3-dimethylnonane has a molecular weight of 184.37 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dimethylnonane is sourced from PubChem (CID 57490996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).