3,5-diethyl-4,6,7-trimethylnonane

C16H34 — CID 123912873

IUPAC3,5-diethyl-4,6,7-trimethylnonane
SMILESCCC(C)C(C)C(CC)C(C)C(CC)CC
InChIInChI=1S/C16H34/c1-8-12(5)13(6)16(11-4)14(7)15(9-2)10-3/h12-16H,8-11H2,1-7H3
InChIKeyUFKJSIQVJKFWQT-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds8

About 3,5-diethyl-4,6,7-trimethylnonane

3,5-diethyl-4,6,7-trimethylnonane (PubChem CID 123912873) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 3,5-diethyl-4,6,7-trimethylnonane.

Molecular Properties

Compound Name3,5-diethyl-4,6,7-trimethylnonane
PubChem CID123912873
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name3,5-diethyl-4,6,7-trimethylnonane
SMILESCCC(C)C(C)C(CC)C(C)C(CC)CC
InChIInChI=1S/C16H34/c1-8-12(5)13(6)16(11-4)14(7)15(9-2)10-3/h12-16H,8-11H2,1-7H3
InChIKeyUFKJSIQVJKFWQT-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4R)-3-ethyl-4-methylhexane
CID 59954491
2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol
CID 170068950
5-butan-2-yl-3-ethyl-4-methylnonane
CID 123762542
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
(4S)-2,3,4-trimethylhexane
CID 58359072
4-ethyl-N,2,3-trimethylhexan-1-amine
CID 81016433
5-ethyl-2,3,4-trimethylheptane
CID 53428868
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
4-butan-2-yl-3,5-diethylheptane;3,4-diethyl-5-methylheptane;3,5-diethyl-4-methylheptane;3,4-dimethylhexane;bis(3-ethyl-4-methylhexane);bis(2-methylbutane);tris(3-methylpentane)
CID 165078290
4-ethyl-5,6-dimethyloct-1-ene
CID 123882592
3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane
CID 165016406

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4,6,7-trimethylnonane?
The IUPAC name of 3,5-diethyl-4,6,7-trimethylnonane (CID 123912873) is 3,5-diethyl-4,6,7-trimethylnonane.
What is the SMILES notation for 3,5-diethyl-4,6,7-trimethylnonane?
The canonical SMILES for 3,5-diethyl-4,6,7-trimethylnonane is CCC(C)C(C)C(CC)C(C)C(CC)CC.
What is the InChIKey of 3,5-diethyl-4,6,7-trimethylnonane?
The InChIKey is UFKJSIQVJKFWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-8-12(5)13(6)16(11-4)14(7)15(9-2)10-3/h12-16H,8-11H2,1-7H3.
What are the key properties of 3,5-diethyl-4,6,7-trimethylnonane?
3,5-diethyl-4,6,7-trimethylnonane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4,6,7-trimethylnonane is sourced from PubChem (CID 123912873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).