(5S)-3,5-diethylnonane;methane

C14H32 — CID 159387669

IUPAC(5S)-3,5-diethylnonane;methane
SMILESC.CCCC[C@H](CC)CC(CC)CC
InChIInChI=1S/C13H28.CH4/c1-5-9-10-13(8-4)11-12(6-2)7-3;/h12-13H,5-11H2,1-4H3;1H4/t13-;/m0./s1
InChIKeyLLSAWLFGGLGGPX-ZOWNYOTGSA-N
MW200.41 g/mol
LogP5.67
Rot. Bonds8

About (5S)-3,5-diethylnonane;methane

(5S)-3,5-diethylnonane;methane (PubChem CID 159387669) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is (5S)-3,5-diethylnonane;methane.

Molecular Properties

Compound Name(5S)-3,5-diethylnonane;methane
PubChem CID159387669
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Name(5S)-3,5-diethylnonane;methane
SMILESC.CCCC[C@H](CC)CC(CC)CC
InChIInChI=1S/C13H28.CH4/c1-5-9-10-13(8-4)11-12(6-2)7-3;/h12-13H,5-11H2,1-4H3;1H4/t13-;/m0./s1
InChIKeyLLSAWLFGGLGGPX-ZOWNYOTGSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
5,8,10-triethylpentadecane
CID 123791231
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
1-bromo-2-(bromomethyl)-4-ethyloctane
CID 79453093
9-ethyl-7-pentylhexadecane
CID 91283125
9-ethyl-11-heptylnonadecane
CID 90975246
(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464987
4-ethyl-6-propyltetradecane
CID 91553020
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
4-ethyl-6-propyltridecane
CID 90859634
8-ethyl-10-propyloctadecane
CID 91006189

Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-diethylnonane;methane?
The IUPAC name of (5S)-3,5-diethylnonane;methane (CID 159387669) is (5S)-3,5-diethylnonane;methane.
What is the SMILES notation for (5S)-3,5-diethylnonane;methane?
The canonical SMILES for (5S)-3,5-diethylnonane;methane is C.CCCC[C@H](CC)CC(CC)CC.
What is the InChIKey of (5S)-3,5-diethylnonane;methane?
The InChIKey is LLSAWLFGGLGGPX-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H28.CH4/c1-5-9-10-13(8-4)11-12(6-2)7-3;/h12-13H,5-11H2,1-4H3;1H4/t13-;/m0./s1.
What are the key properties of (5S)-3,5-diethylnonane;methane?
(5S)-3,5-diethylnonane;methane has a molecular weight of 200.41 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-diethylnonane;methane is sourced from PubChem (CID 159387669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).