2-methyl-5-propan-2-yl-1,3-oxathiolane

C7H14OS — CID 144683699

IUPAC2-methyl-5-propan-2-yl-1,3-oxathiolane
SMILESCC1OC(C(C)C)CS1
InChIInChI=1S/C7H14OS/c1-5(2)7-4-9-6(3)8-7/h5-7H,4H2,1-3H3
InChIKeyVVCQANNZXKFPFG-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.12
Rot. Bonds1

About 2-methyl-5-propan-2-yl-1,3-oxathiolane

2-methyl-5-propan-2-yl-1,3-oxathiolane (PubChem CID 144683699) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1,3-oxathiolane.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1,3-oxathiolane
PubChem CID144683699
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-methyl-5-propan-2-yl-1,3-oxathiolane
SMILESCC1OC(C(C)C)CS1
InChIInChI=1S/C7H14OS/c1-5(2)7-4-9-6(3)8-7/h5-7H,4H2,1-3H3
InChIKeyVVCQANNZXKFPFG-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylethyl)-1,3-oxathiolane
CID 28673
2-Methyl-2-propan-2-yl-1,3-oxathiolane
CID 568480
1,3-Oxathiolane, 2,2-diisopropyl-
CID 27656
2-Isobutyl-1,3-oxothiolane
CID 529631
(4R,5R)-2,2,4,5-tetramethyl-1,3-oxathiolane
CID 637774
(2R)-2-methyl-2-propan-2-yl-1,3-oxathiolane
CID 637781
(2S)-2-ethyl-2-methyl-1,3-oxathiolane
CID 637782
(r,s)-3-Methoxy-tetrahydro-thiophene
CID 19899984
anti-2-cis-4,5-Trimethyl-1,3-oxathiolane
CID 144004
Dimethyl[(1-propyldodecyl)oxy]vinylsilane
CID 529633
1,3-Oxathiolane, 2-ethyl-2-methyl-
CID 548206
2,2,4,5-Tetramethyl-1,3-oxathiolane
CID 21719870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1,3-oxathiolane?
The IUPAC name of 2-methyl-5-propan-2-yl-1,3-oxathiolane (CID 144683699) is 2-methyl-5-propan-2-yl-1,3-oxathiolane.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1,3-oxathiolane?
The canonical SMILES for 2-methyl-5-propan-2-yl-1,3-oxathiolane is CC1OC(C(C)C)CS1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1,3-oxathiolane?
The InChIKey is VVCQANNZXKFPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-5(2)7-4-9-6(3)8-7/h5-7H,4H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-1,3-oxathiolane?
2-methyl-5-propan-2-yl-1,3-oxathiolane has a molecular weight of 146.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1,3-oxathiolane is sourced from PubChem (CID 144683699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).