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

C7H14O5S — CID 90323097

IUPAC(4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCCCOC[C@H]1COS(=O)(=O)O1
InChIInChI=1S/C7H14O5S/c1-2-3-4-10-5-7-6-11-13(8,9)12-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyDYIDWKOGAWXMOZ-ZETCQYMHSA-N
MW210.25 g/mol
LogP0.46
Rot. Bonds5

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

(4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 90323097) has the molecular formula C7H14O5S and a molecular weight of 210.25 g/mol. Its IUPAC name is (4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name(4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID90323097
Molecular FormulaC7H14O5S
Molecular Weight210.25 g/mol
Exact Mass210.06
IUPAC Name(4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCCCOC[C@H]1COS(=O)(=O)O1
InChIInChI=1S/C7H14O5S/c1-2-3-4-10-5-7-6-11-13(8,9)12-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyDYIDWKOGAWXMOZ-ZETCQYMHSA-N
XLogP0.46
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
CID 153262727
CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate
CID 155156503
4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide
CID 71369874
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane
CID 174860691
dibutoxy-methyl-(oxiran-2-ylmethoxymethyl)silane
CID 54372055

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of (4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide (CID 90323097) is (4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for (4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for (4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide is CCCCOC[C@H]1COS(=O)(=O)O1.
What is the InChIKey of (4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is DYIDWKOGAWXMOZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14O5S/c1-2-3-4-10-5-7-6-11-13(8,9)12-7/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide?
(4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 210.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 90323097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).