(4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane

C11H22OS — CID 90707038

IUPAC(4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane
SMILESCCC1OC(SC)[C@@H](C)[C@@H](C)C1C
InChIInChI=1S/C11H22OS/c1-6-10-8(3)7(2)9(4)11(12-10)13-5/h7-11H,6H2,1-5H3/t7-,8?,9-,10?,11?/m0/s1
InChIKeyLAXHPRHDINDQMZ-DPFQSYNXSA-N
MW202.36 g/mol
LogP3.39
Rot. Bonds2

About (4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane

(4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane (PubChem CID 90707038) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is (4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane.

Molecular Properties

Compound Name(4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane
PubChem CID90707038
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name(4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane
SMILESCCC1OC(SC)[C@@H](C)[C@@H](C)C1C
InChIInChI=1S/C11H22OS/c1-6-10-8(3)7(2)9(4)11(12-10)13-5/h7-11H,6H2,1-5H3/t7-,8?,9-,10?,11?/m0/s1
InChIKeyLAXHPRHDINDQMZ-DPFQSYNXSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,6R)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane
CID 54472325
(3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane
CID 54472326
(2R,4R,5S)-2,3,4,5-tetramethyl-6-(trifluoromethylsulfanylmethyl)oxane
CID 71076117
S-[2-methyl-1-[(4R)-4-methyloxan-2-yl]propyl] ethanethioate
CID 137518997
(4R)-4-methyl-2-(2-methyl-1-methylsulfanylpropyl)oxane
CID 137537232
(1-Ethoxy-1-methylsulfanylpentyl)cyclohexane
CID 85970185
4-(Thian-3-yl)oxane
CID 18791032
2-Cyclohexyl-1,4-oxathiane
CID 19349500
2,3,4,5-Tetramethyl-6-methylsulfanyloxane
CID 20660407
3,4,5-Trimethyl-2-methylsulfanyl-6-propan-2-yloxane
CID 20660408
6-Ethyl-3,4,5-trimethyloxane-2-thiol
CID 21362391
2-[5-(3-Methylbutylsulfanyl)pentyl]oxane
CID 23326674

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane?
The IUPAC name of (4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane (CID 90707038) is (4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane.
What is the SMILES notation for (4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane?
The canonical SMILES for (4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane is CCC1OC(SC)[C@@H](C)[C@@H](C)C1C.
What is the InChIKey of (4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane?
The InChIKey is LAXHPRHDINDQMZ-DPFQSYNXSA-N. The full InChI is InChI=1S/C11H22OS/c1-6-10-8(3)7(2)9(4)11(12-10)13-5/h7-11H,6H2,1-5H3/t7-,8?,9-,10?,11?/m0/s1.
What are the key properties of (4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane?
(4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane has a molecular weight of 202.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane is sourced from PubChem (CID 90707038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).