(4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide

C7H14O4S — CID 10932323

IUPAC(4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCCCC[C@H]1COS(=O)(=O)O1
InChIInChI=1S/C7H14O4S/c1-2-3-4-5-7-6-10-12(8,9)11-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyZLLIROUARWHUCC-ZETCQYMHSA-N
MW194.25 g/mol
LogP1.23
Rot. Bonds4

About (4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide

(4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 10932323) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is (4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name(4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID10932323
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name(4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCCCC[C@H]1COS(=O)(=O)O1
InChIInChI=1S/C7H14O4S/c1-2-3-4-5-7-6-10-12(8,9)11-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyZLLIROUARWHUCC-ZETCQYMHSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3,2-Dioxathiolane, 4-propyl-, 2,2-dioxide
CID 12038412
1,3,2-Dioxathiolane, 4-hexyl-, 2,2-dioxide
CID 11356240
(4R,5R)-4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide
CID 14264424
4-Octyl-1,3,2-dioxathiolane 2,2-dioxide
CID 10082844
4-Butyl-1,3,2-dioxathiolane 2,2-dioxide
CID 13547584
(4R)-4-octyl-1,3,2-dioxathiolane 2,2-dioxide
CID 14264419
4,5-Dibutyl-1,3,2-dioxathiolane 2,2-dioxide
CID 14264423
4-Octyl-1,3,2-dioxathiolane 2-oxide
CID 14688243
4,5-Diethyl-1,3,2lambda6-dioxathiolane-2,2-dione
CID 21337490
(4R,5R)-4,5-diethyl-1,3,2-dioxathiolane 2,2-dioxide
CID 53893732
(R)-4-Propyl-[1,3,2]dioxathiolane 2,2-dioxide
CID 57543484
4-Pentyl-1,3,2-dioxathiolane 2,2-dioxide
CID 85320858

Frequently Asked Questions

What is the IUPAC name of (4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of (4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide (CID 10932323) is (4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for (4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for (4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide is CCCCC[C@H]1COS(=O)(=O)O1.
What is the InChIKey of (4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is ZLLIROUARWHUCC-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14O4S/c1-2-3-4-5-7-6-10-12(8,9)11-7/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide?
(4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 194.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-pentyl-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 10932323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).