(4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide

C14H24O3S — CID 139057468

IUPAC(4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide
SMILESO=S1O[C@H](C2CCCCC2)[C@H](C2CCCCC2)O1
InChIInChI=1S/C14H24O3S/c15-18-16-13(11-7-3-1-4-8-11)14(17-18)12-9-5-2-6-10-12/h11-14H,1-10H2/t13-,14+,18?
InChIKeyMBPVETHJDQIZQA-UUVAVEHKSA-N
MW272.41 g/mol
LogP3.51
Rot. Bonds2

About (4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide

(4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide (PubChem CID 139057468) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is (4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name(4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide
PubChem CID139057468
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name(4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide
SMILESO=S1O[C@H](C2CCCCC2)[C@H](C2CCCCC2)O1
InChIInChI=1S/C14H24O3S/c15-18-16-13(11-7-3-1-4-8-11)14(17-18)12-9-5-2-6-10-12/h11-14H,1-10H2/t13-,14+,18?
InChIKeyMBPVETHJDQIZQA-UUVAVEHKSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 10377401
(4S,5S)-4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 10354715
(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
(4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane
CID 135048199
4-Cyclohexyl-1,3,2-dioxathiolane 2,2-dioxide
CID 14264420
4,5-Dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 18970935
(4R,5R)-4,5-dicyclohexyl-2-hydroxy-1,3,2-dioxaborolane
CID 54146376
4,5-Dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2lambda5-dioxaphospholane
CID 58900644
CID 69599826
CID 69599826
CID 69599835
CID 69599835
4-Cyclohexyl-5-methyl-1,3,2-dioxathiolane 2,2-dioxide
CID 85899271

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of (4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide (CID 139057468) is (4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for (4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for (4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide is O=S1O[C@H](C2CCCCC2)[C@H](C2CCCCC2)O1.
What is the InChIKey of (4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide?
The InChIKey is MBPVETHJDQIZQA-UUVAVEHKSA-N. The full InChI is InChI=1S/C14H24O3S/c15-18-16-13(11-7-3-1-4-8-11)14(17-18)12-9-5-2-6-10-12/h11-14H,1-10H2/t13-,14+,18?.
What are the key properties of (4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide?
(4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide has a molecular weight of 272.41 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dicyclohexyl-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 139057468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).