6-ethyl-2,3,3-trimethylnonane

C14H30 — CID 57492087

IUPAC6-ethyl-2,3,3-trimethylnonane
SMILESCCCC(CC)CCC(C)(C)C(C)C
InChIInChI=1S/C14H30/c1-7-9-13(8-2)10-11-14(5,6)12(3)4/h12-13H,7-11H2,1-6H3
InChIKeyKNQPWGUNGYSXGK-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds7

About 6-ethyl-2,3,3-trimethylnonane

6-ethyl-2,3,3-trimethylnonane (PubChem CID 57492087) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 6-ethyl-2,3,3-trimethylnonane.

Molecular Properties

Compound Name6-ethyl-2,3,3-trimethylnonane
PubChem CID57492087
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name6-ethyl-2,3,3-trimethylnonane
SMILESCCCC(CC)CCC(C)(C)C(C)C
InChIInChI=1S/C14H30/c1-7-9-13(8-2)10-11-14(5,6)12(3)4/h12-13H,7-11H2,1-6H3
InChIKeyKNQPWGUNGYSXGK-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethyl-2,2-difluorooctane
CID 144565046
4-ethylheptane;methane
CID 143165373
3-ethylpentane;2,2,3-trimethylbutane
CID 159696459
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
5-ethyl-2,2-dimethyltetradecane
CID 162426700
8-ethyl-4,4-dimethylundecane
CID 123621747
2,5-diethyloctane-1,2-diol
CID 87744729
2,3,3,7,8-pentamethyldecane
CID 91370129
6-ethyl-3-methylnonane;methane
CID 142358245
ethane;2,3,3-trimethyloctane
CID 142049944
5-ethyloctan-2-ol
CID 20725141
CID 160839086
CID 160839086

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3,3-trimethylnonane?
The IUPAC name of 6-ethyl-2,3,3-trimethylnonane (CID 57492087) is 6-ethyl-2,3,3-trimethylnonane.
What is the SMILES notation for 6-ethyl-2,3,3-trimethylnonane?
The canonical SMILES for 6-ethyl-2,3,3-trimethylnonane is CCCC(CC)CCC(C)(C)C(C)C.
What is the InChIKey of 6-ethyl-2,3,3-trimethylnonane?
The InChIKey is KNQPWGUNGYSXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-9-13(8-2)10-11-14(5,6)12(3)4/h12-13H,7-11H2,1-6H3.
What are the key properties of 6-ethyl-2,3,3-trimethylnonane?
6-ethyl-2,3,3-trimethylnonane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3,3-trimethylnonane is sourced from PubChem (CID 57492087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).