2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol

C15H32O4Si — CID 10017944

IUPAC2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol
SMILESCC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C(C)(C)O)O1
InChIInChI=1S/C15H32O4Si/c1-13(2,3)20(8,9)17-10-11-12(14(4,5)16)19-15(6,7)18-11/h11-12,16H,10H2,1-9H3/t11-,12+/m0/s1
InChIKeyZJKUOEQFLMPCHR-NWDGAFQWSA-N
MW304.50 g/mol
LogP3.30
Rot. Bonds4

About 2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol

2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol (PubChem CID 10017944) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is 2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol
PubChem CID10017944
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol
SMILESCC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C(C)(C)O)O1
InChIInChI=1S/C15H32O4Si/c1-13(2,3)20(8,9)17-10-11-12(14(4,5)16)19-15(6,7)18-11/h11-12,16H,10H2,1-9H3/t11-,12+/m0/s1
InChIKeyZJKUOEQFLMPCHR-NWDGAFQWSA-N
XLogP3.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.30
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 2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol?
The IUPAC name of 2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol (CID 10017944) is 2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol.
What is the SMILES notation for 2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol?
The canonical SMILES for 2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol is CC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](C(C)(C)O)O1.
What is the InChIKey of 2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol?
The InChIKey is ZJKUOEQFLMPCHR-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-13(2,3)20(8,9)17-10-11-12(14(4,5)16)19-15(6,7)18-11/h11-12,16H,10H2,1-9H3/t11-,12+/m0/s1.
What are the key properties of 2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol?
2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol has a molecular weight of 304.50 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol is sourced from PubChem (CID 10017944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).