2-propan-2-ylidene-1,3-oxathiolane

C6H10OS — CID 58322004

IUPAC2-propan-2-ylidene-1,3-oxathiolane
SMILESCC(C)=C1OCCS1
InChIInChI=1S/C6H10OS/c1-5(2)6-7-3-4-8-6/h3-4H2,1-2H3
InChIKeySFGBKCRBUOYNTA-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.00
Rot. Bonds

About 2-propan-2-ylidene-1,3-oxathiolane

2-propan-2-ylidene-1,3-oxathiolane (PubChem CID 58322004) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-propan-2-ylidene-1,3-oxathiolane.

Molecular Properties

Compound Name2-propan-2-ylidene-1,3-oxathiolane
PubChem CID58322004
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-propan-2-ylidene-1,3-oxathiolane
SMILESCC(C)=C1OCCS1
InChIInChI=1S/C6H10OS/c1-5(2)6-7-3-4-8-6/h3-4H2,1-2H3
InChIKeySFGBKCRBUOYNTA-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylidene-1,3-oxathiolane?
The IUPAC name of 2-propan-2-ylidene-1,3-oxathiolane (CID 58322004) is 2-propan-2-ylidene-1,3-oxathiolane.
What is the SMILES notation for 2-propan-2-ylidene-1,3-oxathiolane?
The canonical SMILES for 2-propan-2-ylidene-1,3-oxathiolane is CC(C)=C1OCCS1.
What is the InChIKey of 2-propan-2-ylidene-1,3-oxathiolane?
The InChIKey is SFGBKCRBUOYNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5(2)6-7-3-4-8-6/h3-4H2,1-2H3.
What are the key properties of 2-propan-2-ylidene-1,3-oxathiolane?
2-propan-2-ylidene-1,3-oxathiolane has a molecular weight of 130.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidene-1,3-oxathiolane is sourced from PubChem (CID 58322004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).