[1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol

C17H36O4SSi — CID 169146997

IUPAC[1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol
SMILESCC(C)[Si](OCC(C)(C)S(=O)(=O)C1(CO)CC1)(C(C)C)C(C)C
InChIInChI=1S/C17H36O4SSi/c1-13(2)23(14(3)4,15(5)6)21-12-16(7,8)22(19,20)17(11-18)9-10-17/h13-15,18H,9-12H2,1-8H3
InChIKeyITOYLWOPRLPUQE-UHFFFAOYSA-N
MW364.62 g/mol
LogP3.90
Rot. Bonds9

About [1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol

[1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol (PubChem CID 169146997) has the molecular formula C17H36O4SSi and a molecular weight of 364.62 g/mol. Its IUPAC name is [1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol
PubChem CID169146997
Molecular FormulaC17H36O4SSi
Molecular Weight364.62 g/mol
Exact Mass364.21
IUPAC Name[1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol
SMILESCC(C)[Si](OCC(C)(C)S(=O)(=O)C1(CO)CC1)(C(C)C)C(C)C
InChIInChI=1S/C17H36O4SSi/c1-13(2)23(14(3)4,15(5)6)21-12-16(7,8)22(19,20)17(11-18)9-10-17/h13-15,18H,9-12H2,1-8H3
InChIKeyITOYLWOPRLPUQE-UHFFFAOYSA-N
XLogP3.90
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol?
The IUPAC name of [1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol (CID 169146997) is [1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol.
What is the SMILES notation for [1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol?
The canonical SMILES for [1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol is CC(C)[Si](OCC(C)(C)S(=O)(=O)C1(CO)CC1)(C(C)C)C(C)C.
What is the InChIKey of [1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol?
The InChIKey is ITOYLWOPRLPUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4SSi/c1-13(2)23(14(3)4,15(5)6)21-12-16(7,8)22(19,20)17(11-18)9-10-17/h13-15,18H,9-12H2,1-8H3.
What are the key properties of [1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol?
[1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol has a molecular weight of 364.62 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methyl-1-tri(propan-2-yl)silyloxypropan-2-yl]sulfonylcyclopropyl]methanol is sourced from PubChem (CID 169146997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).