5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane

C14H30S — CID 123309563

IUPAC5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane
SMILESCCSC(CC(C)C)C(CC)C(C)CC
InChIInChI=1S/C14H30S/c1-7-12(6)13(8-2)14(15-9-3)10-11(4)5/h11-14H,7-10H2,1-6H3
InChIKeyKQGNSUMQDVZNRR-UHFFFAOYSA-N
MW230.46 g/mol
LogP5.23
Rot. Bonds8

About 5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane

5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane (PubChem CID 123309563) has the molecular formula C14H30S and a molecular weight of 230.46 g/mol. Its IUPAC name is 5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane.

Molecular Properties

Compound Name5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane
PubChem CID123309563
Molecular FormulaC14H30S
Molecular Weight230.46 g/mol
Exact Mass230.21
IUPAC Name5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane
SMILESCCSC(CC(C)C)C(CC)C(C)CC
InChIInChI=1S/C14H30S/c1-7-12(6)13(8-2)14(15-9-3)10-11(4)5/h11-14H,7-10H2,1-6H3
InChIKeyKQGNSUMQDVZNRR-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
propane;2,4,6-trimethylheptane
CID 165013878
alumane;2,4,5-trimethylheptane
CID 174508217
ethane;2,4,5-trimethylheptane
CID 142268679
7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane
CID 123225543
2-ethyl-3-methylpentane-1,1-diol
CID 151142103
2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane
CID 159853039
N-ethyl-2,5-dimethylheptan-4-amine
CID 63717421
2,4,6,7-tetramethylnonan-5-ol
CID 156689826
2,4-dimethylhexane;propane
CID 143348383
2-ethylsulfanylbutane
CID 521270
4-butan-2-yl-5-methylheptane-2-thiol
CID 87156915

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane?
The IUPAC name of 5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane (CID 123309563) is 5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane.
What is the SMILES notation for 5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane?
The canonical SMILES for 5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane is CCSC(CC(C)C)C(CC)C(C)CC.
What is the InChIKey of 5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane?
The InChIKey is KQGNSUMQDVZNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30S/c1-7-12(6)13(8-2)14(15-9-3)10-11(4)5/h11-14H,7-10H2,1-6H3.
What are the key properties of 5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane?
5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane has a molecular weight of 230.46 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-ethylsulfanyl-2,6-dimethyloctane is sourced from PubChem (CID 123309563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).