(4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide

C8H14O4S — CID 14264421

IUPAC(4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S1(=O)OC[C@@H](C2CCCCC2)O1
InChIInChI=1S/C8H14O4S/c9-13(10)11-6-8(12-13)7-4-2-1-3-5-7/h7-8H,1-6H2/t8-/m0/s1
InChIKeyZUNKWJGNHDCTDB-QMMMGPOBSA-N
MW206.26 g/mol
LogP1.23
Rot. Bonds1

About (4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide

(4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 14264421) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is (4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name(4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID14264421
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name(4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S1(=O)OC[C@@H](C2CCCCC2)O1
InChIInChI=1S/C8H14O4S/c9-13(10)11-6-8(12-13)7-4-2-1-3-5-7/h7-8H,1-6H2/t8-/m0/s1
InChIKeyZUNKWJGNHDCTDB-QMMMGPOBSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of (4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide (CID 14264421) is (4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for (4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for (4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide is O=S1(=O)OC[C@@H](C2CCCCC2)O1.
What is the InChIKey of (4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is ZUNKWJGNHDCTDB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O4S/c9-13(10)11-6-8(12-13)7-4-2-1-3-5-7/h7-8H,1-6H2/t8-/m0/s1.
What are the key properties of (4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide?
(4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 206.26 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 14264421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).