1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane

C17H28O5SSi — CID 178181403

IUPAC1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane
SMILESCCOC1(O[Si](C)(C)C)CC1.O=S(=O)(c1ccccc1)C1(O)CC1
InChIInChI=1S/C9H10O3S.C8H18O2Si/c10-9(6-7-9)13(11,12)8-4-2-1-3-5-8;1-5-9-8(6-7-8)10-11(2,3)4/h1-5,10H,6-7H2;5-7H2,1-4H3
InChIKeyMTEULRADVWZULA-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.31
Rot. Bonds6

About 1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane

1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane (PubChem CID 178181403) has the molecular formula C17H28O5SSi and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane.

Molecular Properties

Compound Name1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane
PubChem CID178181403
Molecular FormulaC17H28O5SSi
Molecular Weight372.56 g/mol
Exact Mass372.14
IUPAC Name1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane
SMILESCCOC1(O[Si](C)(C)C)CC1.O=S(=O)(c1ccccc1)C1(O)CC1
InChIInChI=1S/C9H10O3S.C8H18O2Si/c10-9(6-7-9)13(11,12)8-4-2-1-3-5-8;1-5-9-8(6-7-8)10-11(2,3)4/h1-5,10H,6-7H2;5-7H2,1-4H3
InChIKeyMTEULRADVWZULA-UHFFFAOYSA-N
XLogP3.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane?
The IUPAC name of 1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane (CID 178181403) is 1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane.
What is the SMILES notation for 1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane?
The canonical SMILES for 1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane is CCOC1(O[Si](C)(C)C)CC1.O=S(=O)(c1ccccc1)C1(O)CC1.
What is the InChIKey of 1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane?
The InChIKey is MTEULRADVWZULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S.C8H18O2Si/c10-9(6-7-9)13(11,12)8-4-2-1-3-5-8;1-5-9-8(6-7-8)10-11(2,3)4/h1-5,10H,6-7H2;5-7H2,1-4H3.
What are the key properties of 1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane?
1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane has a molecular weight of 372.56 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)cyclopropan-1-ol;(1-ethoxycyclopropyl)oxy-trimethylsilane is sourced from PubChem (CID 178181403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).