5-ethyl-2,2,6-trimethylnonane

C14H30 — CID 57492048

IUPAC5-ethyl-2,2,6-trimethylnonane
SMILESCCCC(C)C(CC)CCC(C)(C)C
InChIInChI=1S/C14H30/c1-7-9-12(3)13(8-2)10-11-14(4,5)6/h12-13H,7-11H2,1-6H3
InChIKeyMWQXWLOQOBUTTO-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds6

About 5-ethyl-2,2,6-trimethylnonane

5-ethyl-2,2,6-trimethylnonane (PubChem CID 57492048) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 5-ethyl-2,2,6-trimethylnonane.

Molecular Properties

Compound Name5-ethyl-2,2,6-trimethylnonane
PubChem CID57492048
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name5-ethyl-2,2,6-trimethylnonane
SMILESCCCC(C)C(CC)CCC(C)(C)C
InChIInChI=1S/C14H30/c1-7-9-12(3)13(8-2)10-11-14(4,5)6/h12-13H,7-11H2,1-6H3
InChIKeyMWQXWLOQOBUTTO-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2,6-trimethylnonane?
The IUPAC name of 5-ethyl-2,2,6-trimethylnonane (CID 57492048) is 5-ethyl-2,2,6-trimethylnonane.
What is the SMILES notation for 5-ethyl-2,2,6-trimethylnonane?
The canonical SMILES for 5-ethyl-2,2,6-trimethylnonane is CCCC(C)C(CC)CCC(C)(C)C.
What is the InChIKey of 5-ethyl-2,2,6-trimethylnonane?
The InChIKey is MWQXWLOQOBUTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-9-12(3)13(8-2)10-11-14(4,5)6/h12-13H,7-11H2,1-6H3.
What are the key properties of 5-ethyl-2,2,6-trimethylnonane?
5-ethyl-2,2,6-trimethylnonane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2,6-trimethylnonane is sourced from PubChem (CID 57492048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).