2-(2-methylbutan-2-ylsulfanyl)oxane

C10H20OS — CID 18412814

IUPAC2-(2-methylbutan-2-ylsulfanyl)oxane
SMILESCCC(C)(C)SC1CCCCO1
InChIInChI=1S/C10H20OS/c1-4-10(2,3)12-9-7-5-6-8-11-9/h9H,4-8H2,1-3H3
InChIKeyGOPWGVFBTWVXIP-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.43
Rot. Bonds3

About 2-(2-methylbutan-2-ylsulfanyl)oxane

2-(2-methylbutan-2-ylsulfanyl)oxane (PubChem CID 18412814) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-(2-methylbutan-2-ylsulfanyl)oxane.

Molecular Properties

Compound Name2-(2-methylbutan-2-ylsulfanyl)oxane
PubChem CID18412814
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-(2-methylbutan-2-ylsulfanyl)oxane
SMILESCCC(C)(C)SC1CCCCO1
InChIInChI=1S/C10H20OS/c1-4-10(2,3)12-9-7-5-6-8-11-9/h9H,4-8H2,1-3H3
InChIKeyGOPWGVFBTWVXIP-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-2-Methyl-4-propyl-1,3-oxathiane
CID 101010
2-Methyl-4-propyl-1,3-oxathiane, trans-
CID 6931726
2-Pentyl-4-propyl-1,3-oxathiane
CID 20514321
4-Methyl-2-propyl-1,3-oxathiane
CID 46195362
1,3-Oxathiane, 2-methyl-4-propyl-, (2R,4S)-rel-
CID 6931728
1,3-Oxathiane, 2-ethyl-4,4-dimethyl-
CID 18539814
(2R,4S)-2-methyl-4-propyl-1,3-oxathiane
CID 6931725
2,4,4-Trimethyl-1,3-oxathiane
CID 18539813
(r,s)-2-Methylsulfanyl-tetrahydro-pyran
CID 58779848
4-(Methylsulfanyl)oxane
CID 54181372
2-Ethylsulfanyloxane
CID 543742
2H-Pyran, tetrahydro-2-(methylthio)-
CID 558906

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-ylsulfanyl)oxane?
The IUPAC name of 2-(2-methylbutan-2-ylsulfanyl)oxane (CID 18412814) is 2-(2-methylbutan-2-ylsulfanyl)oxane.
What is the SMILES notation for 2-(2-methylbutan-2-ylsulfanyl)oxane?
The canonical SMILES for 2-(2-methylbutan-2-ylsulfanyl)oxane is CCC(C)(C)SC1CCCCO1.
What is the InChIKey of 2-(2-methylbutan-2-ylsulfanyl)oxane?
The InChIKey is GOPWGVFBTWVXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-4-10(2,3)12-9-7-5-6-8-11-9/h9H,4-8H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-ylsulfanyl)oxane?
2-(2-methylbutan-2-ylsulfanyl)oxane has a molecular weight of 188.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-ylsulfanyl)oxane is sourced from PubChem (CID 18412814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).