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

C17H34O4SSi — CID 156678578

IUPAC[1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol
SMILESCC(C)[Si](OC1CC(S(=O)(=O)C2(CO)CC2)C1)(C(C)C)C(C)C
InChIInChI=1S/C17H34O4SSi/c1-12(2)23(13(3)4,14(5)6)21-15-9-16(10-15)22(19,20)17(11-18)7-8-17/h12-16,18H,7-11H2,1-6H3
InChIKeyGWUGQFZXUBQZLF-UHFFFAOYSA-N
MW362.61 g/mol
LogP3.65
Rot. Bonds8

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

[1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol (PubChem CID 156678578) has the molecular formula C17H34O4SSi and a molecular weight of 362.61 g/mol. Its IUPAC name is [1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol
PubChem CID156678578
Molecular FormulaC17H34O4SSi
Molecular Weight362.61 g/mol
Exact Mass362.19
IUPAC Name[1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol
SMILESCC(C)[Si](OC1CC(S(=O)(=O)C2(CO)CC2)C1)(C(C)C)C(C)C
InChIInChI=1S/C17H34O4SSi/c1-12(2)23(13(3)4,14(5)6)21-15-9-16(10-15)22(19,20)17(11-18)7-8-17/h12-16,18H,7-11H2,1-6H3
InChIKeyGWUGQFZXUBQZLF-UHFFFAOYSA-N
XLogP3.65
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 53.65
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-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol?
The IUPAC name of [1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol (CID 156678578) is [1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol.
What is the SMILES notation for [1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol?
The canonical SMILES for [1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol is CC(C)[Si](OC1CC(S(=O)(=O)C2(CO)CC2)C1)(C(C)C)C(C)C.
What is the InChIKey of [1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol?
The InChIKey is GWUGQFZXUBQZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4SSi/c1-12(2)23(13(3)4,14(5)6)21-15-9-16(10-15)22(19,20)17(11-18)7-8-17/h12-16,18H,7-11H2,1-6H3.
What are the key properties of [1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol?
[1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol has a molecular weight of 362.61 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-tri(propan-2-yl)silyloxycyclobutyl]sulfonylcyclopropyl]methanol is sourced from PubChem (CID 156678578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).