3-(2-propan-2-yloxyethyl)thiolane

C9H18OS — CID 156869176

IUPAC3-(2-propan-2-yloxyethyl)thiolane
SMILESCC(C)OCCC1CCSC1
InChIInChI=1S/C9H18OS/c1-8(2)10-5-3-9-4-6-11-7-9/h8-9H,3-7H2,1-2H3
InChIKeyVQFVCVDXYWBSTO-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.55
Rot. Bonds4

About 3-(2-propan-2-yloxyethyl)thiolane

3-(2-propan-2-yloxyethyl)thiolane (PubChem CID 156869176) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 3-(2-propan-2-yloxyethyl)thiolane.

Molecular Properties

Compound Name3-(2-propan-2-yloxyethyl)thiolane
PubChem CID156869176
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name3-(2-propan-2-yloxyethyl)thiolane
SMILESCC(C)OCCC1CCSC1
InChIInChI=1S/C9H18OS/c1-8(2)10-5-3-9-4-6-11-7-9/h8-9H,3-7H2,1-2H3
InChIKeyVQFVCVDXYWBSTO-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Oxathiolane, 2,2-diisopropyl-
CID 27656
(2S,3S,4S)-2-(butoxymethyl)-4-fluoro-3-methylthiolane
CID 71182265
2-Heptan-3-yl-1,3-oxathiolane
CID 306084
2-Tert-butyl-5-propyl-1,3-oxathiolane
CID 101387766
2-Isobutyl-2-methyl-1,3-oxathiolane
CID 15192111
2-(2-Methylbutyl)-1,3-oxathiane
CID 19349489
4-Ethoxy-2,4-dimethylthiolane
CID 19899987
2-Methyl-2-(2-methylcyclopentyl)sulfanyloxolane
CID 20442799
5-Methyl-2-pentyl-1,3-oxathiolane
CID 20514308
3-Methoxy-2-propan-2-ylthiolane
CID 20664836
2-(2,2-Dimethylpropylsulfanylmethyl)oxolane
CID 21060295
(2R,3R)-3-methoxy-2-propan-2-ylthiolane
CID 54572142

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yloxyethyl)thiolane?
The IUPAC name of 3-(2-propan-2-yloxyethyl)thiolane (CID 156869176) is 3-(2-propan-2-yloxyethyl)thiolane.
What is the SMILES notation for 3-(2-propan-2-yloxyethyl)thiolane?
The canonical SMILES for 3-(2-propan-2-yloxyethyl)thiolane is CC(C)OCCC1CCSC1.
What is the InChIKey of 3-(2-propan-2-yloxyethyl)thiolane?
The InChIKey is VQFVCVDXYWBSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-8(2)10-5-3-9-4-6-11-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(2-propan-2-yloxyethyl)thiolane?
3-(2-propan-2-yloxyethyl)thiolane has a molecular weight of 174.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxyethyl)thiolane is sourced from PubChem (CID 156869176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).