7-ethyl-2,4,7-trimethylnonane

C14H30 — CID 57492126

IUPAC7-ethyl-2,4,7-trimethylnonane
SMILESCCC(C)(CC)CCC(C)CC(C)C
InChIInChI=1S/C14H30/c1-7-14(6,8-2)10-9-13(5)11-12(3)4/h12-13H,7-11H2,1-6H3
InChIKeyXVVFAPDOULFGON-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds7

About 7-ethyl-2,4,7-trimethylnonane

7-ethyl-2,4,7-trimethylnonane (PubChem CID 57492126) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 7-ethyl-2,4,7-trimethylnonane.

Molecular Properties

Compound Name7-ethyl-2,4,7-trimethylnonane
PubChem CID57492126
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name7-ethyl-2,4,7-trimethylnonane
SMILESCCC(C)(CC)CCC(C)CC(C)C
InChIInChI=1S/C14H30/c1-7-14(6,8-2)10-9-13(5)11-12(3)4/h12-13H,7-11H2,1-6H3
InChIKeyXVVFAPDOULFGON-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

2,2,5,7-tetramethyloctanal
CID 90450835
3-ethyl-3,6,7,8-tetramethylundecane
CID 123359808
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
2,4,7,9-tetramethylundecane
CID 91346710
2,4,6,8,10-pentamethyltridecane
CID 20715673
propane;2,4,6-trimethylheptane
CID 165013878
N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine
CID 158014469
ethane;2-methylpropane;propane;2,4,7-trimethyloctane
CID 144533739
(4S)-2,4-dimethylhexane
CID 22810193
3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane
CID 153454152
(4S)-2,4-dimethylicosane
CID 134952934

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,4,7-trimethylnonane?
The IUPAC name of 7-ethyl-2,4,7-trimethylnonane (CID 57492126) is 7-ethyl-2,4,7-trimethylnonane.
What is the SMILES notation for 7-ethyl-2,4,7-trimethylnonane?
The canonical SMILES for 7-ethyl-2,4,7-trimethylnonane is CCC(C)(CC)CCC(C)CC(C)C.
What is the InChIKey of 7-ethyl-2,4,7-trimethylnonane?
The InChIKey is XVVFAPDOULFGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-14(6,8-2)10-9-13(5)11-12(3)4/h12-13H,7-11H2,1-6H3.
What are the key properties of 7-ethyl-2,4,7-trimethylnonane?
7-ethyl-2,4,7-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 7-ethyl-2,4,7-trimethylnonane is sourced from PubChem (CID 57492126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).