2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane

C10H18OS — CID 13332043

IUPAC2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane
SMILESCC(C)=C1SC(C)(C)OC1(C)C
InChIInChI=1S/C10H18OS/c1-7(2)8-9(3,4)11-10(5,6)12-8/h1-6H3
InChIKeySCPHMJKPXGKWJU-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.56
Rot. Bonds

About 2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane

2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane (PubChem CID 13332043) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane
PubChem CID13332043
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane
SMILESCC(C)=C1SC(C)(C)OC1(C)C
InChIInChI=1S/C10H18OS/c1-7(2)8-9(3,4)11-10(5,6)12-8/h1-6H3
InChIKeySCPHMJKPXGKWJU-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane?
The IUPAC name of 2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane (CID 13332043) is 2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane?
The canonical SMILES for 2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane is CC(C)=C1SC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane?
The InChIKey is SCPHMJKPXGKWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-7(2)8-9(3,4)11-10(5,6)12-8/h1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane?
2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane has a molecular weight of 186.32 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane is sourced from PubChem (CID 13332043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).