(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol
CID 11097760
(1R,3aR,5aR,7S,9aS)-7-[tert-butyl(dimethyl)silyl]oxyspiro[1,2,3,3a,5,5a,6,7-octahydrocyclopenta[i]indene-4,2'-1,3-dithiane]-1-ol
CID 125034440
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
CID 160745300
[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
CID 140956891
cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
CID 14172793
tert-butyl-[[(8R,9S,10S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-bis(phenylmethoxy)-1,5-dithiaspiro[5.6]dodecan-11-yl]oxy]-dimethylsilane
CID 11319886
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508

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).