[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol

C18H38O2Si2 — CID 101332585

IUPAC[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol
SMILESCC1(C)C[C@@H](CO)/C(=C/[Si](C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-17(2,3)22(9,10)20-16-15(13-21(6,7)8)14(12-19)11-18(16,4)5/h13-14,16,19H,11-12H2,1-10H3/b15-13-/t14-,16-/m0/s1
InChIKeyLYLJXLDTOXVFOY-MSQWFZJVSA-N
MW342.67 g/mol
LogP5.22
Rot. Bonds4

About [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol

[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol (PubChem CID 101332585) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol
PubChem CID101332585
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Name[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol
SMILESCC1(C)C[C@@H](CO)/C(=C/[Si](C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-17(2,3)22(9,10)20-16-15(13-21(6,7)8)14(12-19)11-18(16,4)5/h13-14,16,19H,11-12H2,1-10H3/b15-13-/t14-,16-/m0/s1
InChIKeyLYLJXLDTOXVFOY-MSQWFZJVSA-N
XLogP5.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1R,3R,4S)-4-((tert-Butyldimethylsilyl)oxy)-3-(((tert-butyldimethylsilyl)oxy)methyl)-2-methylenecyclopentanol
CID 56651232
(1R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
CID 156903617
(1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
CID 156903643
trans-(1R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
CID 173866425
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
CID 72665366
trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol
CID 101332586
4-[Tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
CID 22177670
(1S,2R,4R)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)-3-methylenecyclopentanol
CID 67982857
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
CID 68839225
(1R,3R,4S)-4-((Tert-butyldimethylsilyl)oxy)-3-(((tert-butyldimethylsilyl)-oxy)methyl)-2-methylenecyclopentanol
CID 76386712
(1S,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol
CID 149725199
(1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol
CID 156903636

Frequently Asked Questions

What is the IUPAC name of [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol?
The IUPAC name of [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol (CID 101332585) is [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol.
What is the SMILES notation for [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol?
The canonical SMILES for [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol is CC1(C)C[C@@H](CO)/C(=C/[Si](C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol?
The InChIKey is LYLJXLDTOXVFOY-MSQWFZJVSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-17(2,3)22(9,10)20-16-15(13-21(6,7)8)14(12-19)11-18(16,4)5/h13-14,16,19H,11-12H2,1-10H3/b15-13-/t14-,16-/m0/s1.
What are the key properties of [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol?
[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol has a molecular weight of 342.67 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol is sourced from PubChem (CID 101332585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).