4-ethyl-4,5,5-trimethylnonane

C14H30 — CID 57492041

IUPAC4-ethyl-4,5,5-trimethylnonane
SMILESCCCCC(C)(C)C(C)(CC)CCC
InChIInChI=1S/C14H30/c1-7-10-12-13(4,5)14(6,9-3)11-8-2/h7-12H2,1-6H3
InChIKeyHTQBNOLZGLSGIT-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.42
Rot. Bonds7

About 4-ethyl-4,5,5-trimethylnonane

4-ethyl-4,5,5-trimethylnonane (PubChem CID 57492041) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 4-ethyl-4,5,5-trimethylnonane.

Molecular Properties

Compound Name4-ethyl-4,5,5-trimethylnonane
PubChem CID57492041
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name4-ethyl-4,5,5-trimethylnonane
SMILESCCCCC(C)(C)C(C)(CC)CCC
InChIInChI=1S/C14H30/c1-7-10-12-13(4,5)14(6,9-3)11-8-2/h7-12H2,1-6H3
InChIKeyHTQBNOLZGLSGIT-UHFFFAOYSA-N
XLogP5.42
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 ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4-ethyl-4-methyloctane;propane
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N-(4-methyloctan-4-yl)methanimine
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(5,6-dibutyl-6-methyldecan-5-yl)azanium hydroxide
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2,2-dimethylhexane
CID 169424592
3,3,4,4-tetramethyloctane-2,2-diol
CID 141265863
4-ethyl-5-ethyl-4,5-dimethyloctane
CID 91355965
2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane
CID 123662569
ethane;3-ethyl-2,2,3-trimethylhexane;methane
CID 143664746
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,5,5-trimethylnonane?
The IUPAC name of 4-ethyl-4,5,5-trimethylnonane (CID 57492041) is 4-ethyl-4,5,5-trimethylnonane.
What is the SMILES notation for 4-ethyl-4,5,5-trimethylnonane?
The canonical SMILES for 4-ethyl-4,5,5-trimethylnonane is CCCCC(C)(C)C(C)(CC)CCC.
What is the InChIKey of 4-ethyl-4,5,5-trimethylnonane?
The InChIKey is HTQBNOLZGLSGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-10-12-13(4,5)14(6,9-3)11-8-2/h7-12H2,1-6H3.
What are the key properties of 4-ethyl-4,5,5-trimethylnonane?
4-ethyl-4,5,5-trimethylnonane has a molecular weight of 198.39 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,5,5-trimethylnonane is sourced from PubChem (CID 57492041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).