(2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate

C14H23O4S- — CID 91871166

IUPAC(2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate
SMILESCC(C)C1CC[C@@H](C)CC1C1CO[C@](O)(C(=O)[O-])S1
InChIInChI=1S/C14H24O4S/c1-8(2)10-5-4-9(3)6-11(10)12-7-18-14(17,19-12)13(15)16/h8-12,17H,4-7H2,1-3H3,(H,15,16)/p-1/t9-,10?,11?,12?,14-/m1/s1
InChIKeyHLWRGGJCABKCPY-FMJARGGBSA-M
MW287.40 g/mol
LogP1.22
Rot. Bonds3

About (2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate

(2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate (PubChem CID 91871166) has the molecular formula C14H23O4S- and a molecular weight of 287.40 g/mol. Its IUPAC name is (2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate.

Molecular Properties

Compound Name(2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate
PubChem CID91871166
Molecular FormulaC14H23O4S-
Molecular Weight287.40 g/mol
Exact Mass287.13
IUPAC Name(2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate
SMILESCC(C)C1CC[C@@H](C)CC1C1CO[C@](O)(C(=O)[O-])S1
InChIInChI=1S/C14H24O4S/c1-8(2)10-5-4-9(3)6-11(10)12-7-18-14(17,19-12)13(15)16/h8-12,17H,4-7H2,1-3H3,(H,15,16)/p-1/t9-,10?,11?,12?,14-/m1/s1
InChIKeyHLWRGGJCABKCPY-FMJARGGBSA-M
XLogP1.22
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate?
The IUPAC name of (2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate (CID 91871166) is (2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate.
What is the SMILES notation for (2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate?
The canonical SMILES for (2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate is CC(C)C1CC[C@@H](C)CC1C1CO[C@](O)(C(=O)[O-])S1.
What is the InChIKey of (2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate?
The InChIKey is HLWRGGJCABKCPY-FMJARGGBSA-M. The full InChI is InChI=1S/C14H24O4S/c1-8(2)10-5-4-9(3)6-11(10)12-7-18-14(17,19-12)13(15)16/h8-12,17H,4-7H2,1-3H3,(H,15,16)/p-1/t9-,10?,11?,12?,14-/m1/s1.
What are the key properties of (2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate?
(2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-4-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane-2-carboxylate is sourced from PubChem (CID 91871166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).