(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol

C17H32O2S2Si — CID 134938923

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC2(SCCCS2)C(O)(C2CC2)C1
InChIInChI=1S/C17H32O2S2Si/c1-15(2,3)22(4,5)19-14-11-16(18,13-7-8-13)17(12-14)20-9-6-10-21-17/h13-14,18H,6-12H2,1-5H3/t14-,16?/m1/s1
InChIKeyPJCMYCJXAGCBMK-IURRXHLWSA-N
MW360.66 g/mol
LogP4.88
Rot. Bonds3

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol (PubChem CID 134938923) has the molecular formula C17H32O2S2Si and a molecular weight of 360.66 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol
PubChem CID134938923
Molecular FormulaC17H32O2S2Si
Molecular Weight360.66 g/mol
Exact Mass360.16
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC2(SCCCS2)C(O)(C2CC2)C1
InChIInChI=1S/C17H32O2S2Si/c1-15(2,3)22(4,5)19-14-11-16(18,13-7-8-13)17(12-14)20-9-6-10-21-17/h13-14,18H,6-12H2,1-5H3/t14-,16?/m1/s1
InChIKeyPJCMYCJXAGCBMK-IURRXHLWSA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.66
LogP ≤ 54.88
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 (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol (CID 134938923) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol is CC(C)(C)[Si](C)(C)O[C@H]1CC2(SCCCS2)C(O)(C2CC2)C1.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol?
The InChIKey is PJCMYCJXAGCBMK-IURRXHLWSA-N. The full InChI is InChI=1S/C17H32O2S2Si/c1-15(2,3)22(4,5)19-14-11-16(18,13-7-8-13)17(12-14)20-9-6-10-21-17/h13-14,18H,6-12H2,1-5H3/t14-,16?/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol has a molecular weight of 360.66 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-6,10-dithiaspiro[4.5]decan-4-ol is sourced from PubChem (CID 134938923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).