3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one

C20H42O4Si2 — CID 101431106

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one
SMILESCC(C)(C)[Si](C)(C)OCCC(=O)[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C20H42O4Si2/c1-19(2,3)25(7,8)23-14-13-16(21)15-11-12-17(18(15)22)24-26(9,10)20(4,5)6/h15,17-18,22H,11-14H2,1-10H3/t15-,17-,18+/m0/s1
InChIKeyLCIVIHWGRJELFP-RYQLBKOJSA-N
MW402.72 g/mol
LogP5.13
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one

3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one (PubChem CID 101431106) has the molecular formula C20H42O4Si2 and a molecular weight of 402.72 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one
PubChem CID101431106
Molecular FormulaC20H42O4Si2
Molecular Weight402.72 g/mol
Exact Mass402.26
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one
SMILESCC(C)(C)[Si](C)(C)OCCC(=O)[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C20H42O4Si2/c1-19(2,3)25(7,8)23-14-13-16(21)15-11-12-17(18(15)22)24-26(9,10)20(4,5)6/h15,17-18,22H,11-14H2,1-10H3/t15-,17-,18+/m0/s1
InChIKeyLCIVIHWGRJELFP-RYQLBKOJSA-N
XLogP5.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 55.13
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 3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one (CID 101431106) is 3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one is CC(C)(C)[Si](C)(C)OCCC(=O)[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one?
The InChIKey is LCIVIHWGRJELFP-RYQLBKOJSA-N. The full InChI is InChI=1S/C20H42O4Si2/c1-19(2,3)25(7,8)23-14-13-16(21)15-11-12-17(18(15)22)24-26(9,10)20(4,5)6/h15,17-18,22H,11-14H2,1-10H3/t15-,17-,18+/m0/s1.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one?
3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one has a molecular weight of 402.72 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]propan-1-one is sourced from PubChem (CID 101431106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).