5-ethyl-3,3,4-trimethylnonane

C14H30 — CID 57492068

IUPAC5-ethyl-3,3,4-trimethylnonane
SMILESCCCCC(CC)C(C)C(C)(C)CC
InChIInChI=1S/C14H30/c1-7-10-11-13(8-2)12(4)14(5,6)9-3/h12-13H,7-11H2,1-6H3
InChIKeyXLUSPZHRYSYOAL-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds7

About 5-ethyl-3,3,4-trimethylnonane

5-ethyl-3,3,4-trimethylnonane (PubChem CID 57492068) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 5-ethyl-3,3,4-trimethylnonane.

Molecular Properties

Compound Name5-ethyl-3,3,4-trimethylnonane
PubChem CID57492068
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name5-ethyl-3,3,4-trimethylnonane
SMILESCCCCC(CC)C(C)C(C)(C)CC
InChIInChI=1S/C14H30/c1-7-10-11-13(8-2)12(4)14(5,6)9-3/h12-13H,7-11H2,1-6H3
InChIKeyXLUSPZHRYSYOAL-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

3,3,4,5-tetramethyldodecane
CID 175562493
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
2,2,3-trimethyl-4-propyloctane
CID 57492614
4,5-diethylnonane
CID 21188862
3-ethylheptan-2-amine
CID 61000696
dibutyl-ethyl-methylphosphanium
CID 58444360
5-ethyl-3-methylnonane-3,4-diol
CID 87743678
3-(dibromomethyl)heptane
CID 87164380
5,6-diethyldodecane
CID 90761715
6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane
CID 123656705
3,3-dimethyl-4-propyloctane
CID 57491237
5,7-diethylundecan-6-ol
CID 89253066

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,3,4-trimethylnonane?
The IUPAC name of 5-ethyl-3,3,4-trimethylnonane (CID 57492068) is 5-ethyl-3,3,4-trimethylnonane.
What is the SMILES notation for 5-ethyl-3,3,4-trimethylnonane?
The canonical SMILES for 5-ethyl-3,3,4-trimethylnonane is CCCCC(CC)C(C)C(C)(C)CC.
What is the InChIKey of 5-ethyl-3,3,4-trimethylnonane?
The InChIKey is XLUSPZHRYSYOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-10-11-13(8-2)12(4)14(5,6)9-3/h12-13H,7-11H2,1-6H3.
What are the key properties of 5-ethyl-3,3,4-trimethylnonane?
5-ethyl-3,3,4-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 5-ethyl-3,3,4-trimethylnonane is sourced from PubChem (CID 57492068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).