3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane

C12H24OS — CID 20660408

IUPAC3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane
SMILESCSC1OC(C(C)C)C(C)C(C)C1C
InChIInChI=1S/C12H24OS/c1-7(2)11-9(4)8(3)10(5)12(13-11)14-6/h7-12H,1-6H3
InChIKeyBBEMMVCPTSTRJP-UHFFFAOYSA-N
MW216.39 g/mol
LogP3.64
Rot. Bonds2

About 3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane

3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane (PubChem CID 20660408) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is 3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane.

Molecular Properties

Compound Name3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane
PubChem CID20660408
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane
SMILESCSC1OC(C(C)C)C(C)C(C)C1C
InChIInChI=1S/C12H24OS/c1-7(2)11-9(4)8(3)10(5)12(13-11)14-6/h7-12H,1-6H3
InChIKeyBBEMMVCPTSTRJP-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.64
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
6-Ethyl-3,4,5-trimethyloxane-2-thiol
CID 21362391
2-[5-(3-Methylbutylsulfanyl)pentyl]oxane
CID 23326674
Ethyl-(4-methylpentyl)-[8-(oxan-2-yl)octyl]sulfanium
CID 23326721

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane?
The IUPAC name of 3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane (CID 20660408) is 3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane.
What is the SMILES notation for 3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane?
The canonical SMILES for 3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane is CSC1OC(C(C)C)C(C)C(C)C1C.
What is the InChIKey of 3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane?
The InChIKey is BBEMMVCPTSTRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OS/c1-7(2)11-9(4)8(3)10(5)12(13-11)14-6/h7-12H,1-6H3.
What are the key properties of 3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane?
3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane has a molecular weight of 216.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-2-methylsulfanyl-6-propan-2-yloxane is sourced from PubChem (CID 20660408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).