[1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol

C17H34O5SSi — CID 156678565

IUPAC[1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol
SMILESCC(C)[Si](OCC1(S(=O)(=O)C2(CO)CC2)COC1)(C(C)C)C(C)C
InChIInChI=1S/C17H34O5SSi/c1-13(2)24(14(3)4,15(5)6)22-12-17(10-21-11-17)23(19,20)16(9-18)7-8-16/h13-15,18H,7-12H2,1-6H3
InChIKeyJKRRVVXJJJELPB-UHFFFAOYSA-N
MW378.61 g/mol
LogP2.89
Rot. Bonds9

About [1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol

[1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol (PubChem CID 156678565) has the molecular formula C17H34O5SSi and a molecular weight of 378.61 g/mol. Its IUPAC name is [1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol
PubChem CID156678565
Molecular FormulaC17H34O5SSi
Molecular Weight378.61 g/mol
Exact Mass378.19
IUPAC Name[1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol
SMILESCC(C)[Si](OCC1(S(=O)(=O)C2(CO)CC2)COC1)(C(C)C)C(C)C
InChIInChI=1S/C17H34O5SSi/c1-13(2)24(14(3)4,15(5)6)22-12-17(10-21-11-17)23(19,20)16(9-18)7-8-16/h13-15,18H,7-12H2,1-6H3
InChIKeyJKRRVVXJJJELPB-UHFFFAOYSA-N
XLogP2.89
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol?
The IUPAC name of [1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol (CID 156678565) is [1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol.
What is the SMILES notation for [1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol?
The canonical SMILES for [1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol is CC(C)[Si](OCC1(S(=O)(=O)C2(CO)CC2)COC1)(C(C)C)C(C)C.
What is the InChIKey of [1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol?
The InChIKey is JKRRVVXJJJELPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5SSi/c1-13(2)24(14(3)4,15(5)6)22-12-17(10-21-11-17)23(19,20)16(9-18)7-8-16/h13-15,18H,7-12H2,1-6H3.
What are the key properties of [1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol?
[1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol has a molecular weight of 378.61 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[tri(propan-2-yl)silyloxymethyl]oxetan-3-yl]sulfonylcyclopropyl]methanol is sourced from PubChem (CID 156678565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).