2-(2,2-dimethylpropylsulfanylmethyl)oxolane

C10H20OS — CID 21060295

IUPAC2-(2,2-dimethylpropylsulfanylmethyl)oxolane
SMILESCC(C)(C)CSCC1CCCO1
InChIInChI=1S/C10H20OS/c1-10(2,3)8-12-7-9-5-4-6-11-9/h9H,4-8H2,1-3H3
InChIKeyOQGIEVUUCIDHNO-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.94
Rot. Bonds3

About 2-(2,2-dimethylpropylsulfanylmethyl)oxolane

2-(2,2-dimethylpropylsulfanylmethyl)oxolane (PubChem CID 21060295) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name2-(2,2-dimethylpropylsulfanylmethyl)oxolane
PubChem CID21060295
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-(2,2-dimethylpropylsulfanylmethyl)oxolane
SMILESCC(C)(C)CSCC1CCCO1
InChIInChI=1S/C10H20OS/c1-10(2,3)8-12-7-9-5-4-6-11-9/h9H,4-8H2,1-3H3
InChIKeyOQGIEVUUCIDHNO-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Methylsulfanyl)methyl]tetrahydrofuran
CID 11789247
(2R,3S,4S)-3-butoxy-2-(butoxymethyl)-4-fluorothiolane
CID 118147394
2-Butyl-4-methyl-1,3-oxathiolane
CID 129801113
2-Butyl-2-methyl-1,3-oxathiolane
CID 13004868
2-Tert-butyl-5-propyl-1,3-oxathiolane
CID 101387766
2-Methyl-3-(2-methylthiolan-2-yl)sulfanyloxolane
CID 20442798
2-Methyl-2-(2-methyloxolan-3-yl)sulfanyloxolane
CID 20442802
2,5-Dimethyl-3-(2-methyloxolan-2-yl)sulfanyloxolane
CID 20442818
5-Methyl-2-pentyl-1,3-oxathiolane
CID 20514308
2-Methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane
CID 22472248
Oxolan-2-ylmethyl pentanedithioate
CID 57053848
(2R,5R)-5-tert-butyl-2-ethyl-1,3-oxathiolane
CID 57959734

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylsulfanylmethyl)oxolane?
The IUPAC name of 2-(2,2-dimethylpropylsulfanylmethyl)oxolane (CID 21060295) is 2-(2,2-dimethylpropylsulfanylmethyl)oxolane.
What is the SMILES notation for 2-(2,2-dimethylpropylsulfanylmethyl)oxolane?
The canonical SMILES for 2-(2,2-dimethylpropylsulfanylmethyl)oxolane is CC(C)(C)CSCC1CCCO1.
What is the InChIKey of 2-(2,2-dimethylpropylsulfanylmethyl)oxolane?
The InChIKey is OQGIEVUUCIDHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-10(2,3)8-12-7-9-5-4-6-11-9/h9H,4-8H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropylsulfanylmethyl)oxolane?
2-(2,2-dimethylpropylsulfanylmethyl)oxolane has a molecular weight of 188.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylsulfanylmethyl)oxolane is sourced from PubChem (CID 21060295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).