4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide

C8H14O4S — CID 14264420

IUPAC4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S1(=O)OCC(C2CCCCC2)O1
InChIInChI=1S/C8H14O4S/c9-13(10)11-6-8(12-13)7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKeyZUNKWJGNHDCTDB-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.23
Rot. Bonds1

About 4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide

4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 14264420) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID14264420
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S1(=O)OCC(C2CCCCC2)O1
InChIInChI=1S/C8H14O4S/c9-13(10)11-6-8(12-13)7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKeyZUNKWJGNHDCTDB-UHFFFAOYSA-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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Related Compounds

(4R,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide
CID 11414617
1,3,2-Dioxathiolane, 4-cyclohexyl-, 2,2-dioxide, (4R)-
CID 14264421
4-Cyclohexyl-5-methyl-1,3,2-dioxathiolane 2,2-dioxide
CID 85899271
4-(Cyclohexylmethyl)-1,3,2-dioxathiolane 2-oxide
CID 87104215
4-Cyclohexyltrioxolane
CID 140446278
(4R,5S)-4-(bromomethyl)-5-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide
CID 11120092
(4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide
CID 139057468

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide (CID 14264420) is 4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide is O=S1(=O)OCC(C2CCCCC2)O1.
What is the InChIKey of 4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is ZUNKWJGNHDCTDB-UHFFFAOYSA-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.
What are the key properties of 4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide?
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 4-cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 14264420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).