(2R,4R)-2-methyl-4-propyl-1,3-oxathiolane

C7H14OS — CID 175373121

IUPAC(2R,4R)-2-methyl-4-propyl-1,3-oxathiolane
SMILESCCC[C@@H]1CO[C@@H](C)S1
InChIInChI=1S/C7H14OS/c1-3-4-7-5-8-6(2)9-7/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyYMFRKHMDPRTKIS-RNFRBKRXSA-N
MW146.25 g/mol
LogP2.26
Rot. Bonds2

About (2R,4R)-2-methyl-4-propyl-1,3-oxathiolane

(2R,4R)-2-methyl-4-propyl-1,3-oxathiolane (PubChem CID 175373121) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (2R,4R)-2-methyl-4-propyl-1,3-oxathiolane.

Molecular Properties

Compound Name(2R,4R)-2-methyl-4-propyl-1,3-oxathiolane
PubChem CID175373121
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(2R,4R)-2-methyl-4-propyl-1,3-oxathiolane
SMILESCCC[C@@H]1CO[C@@H](C)S1
InChIInChI=1S/C7H14OS/c1-3-4-7-5-8-6(2)9-7/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyYMFRKHMDPRTKIS-RNFRBKRXSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-4-propyl-1,3-oxathiolane?
The IUPAC name of (2R,4R)-2-methyl-4-propyl-1,3-oxathiolane (CID 175373121) is (2R,4R)-2-methyl-4-propyl-1,3-oxathiolane.
What is the SMILES notation for (2R,4R)-2-methyl-4-propyl-1,3-oxathiolane?
The canonical SMILES for (2R,4R)-2-methyl-4-propyl-1,3-oxathiolane is CCC[C@@H]1CO[C@@H](C)S1.
What is the InChIKey of (2R,4R)-2-methyl-4-propyl-1,3-oxathiolane?
The InChIKey is YMFRKHMDPRTKIS-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-4-7-5-8-6(2)9-7/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-2-methyl-4-propyl-1,3-oxathiolane?
(2R,4R)-2-methyl-4-propyl-1,3-oxathiolane has a molecular weight of 146.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-4-propyl-1,3-oxathiolane is sourced from PubChem (CID 175373121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).