(1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol

C15H32O5Si — CID 134970351

IUPAC(1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H]([C@@H](O)CO)O1
InChIInChI=1S/C15H32O5Si/c1-14(2,3)21(6,7)18-10-11-8-13(12(17)9-16)20-15(4,5)19-11/h11-13,16-17H,8-10H2,1-7H3/t11-,12-,13+/m0/s1
InChIKeyIUAIBBXKLTZCHN-RWMBFGLXSA-N
MW320.50 g/mol
LogP2.27
Rot. Bonds5

About (1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol

(1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol (PubChem CID 134970351) has the molecular formula C15H32O5Si and a molecular weight of 320.50 g/mol. Its IUPAC name is (1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol
PubChem CID134970351
Molecular FormulaC15H32O5Si
Molecular Weight320.50 g/mol
Exact Mass320.20
IUPAC Name(1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H]([C@@H](O)CO)O1
InChIInChI=1S/C15H32O5Si/c1-14(2,3)21(6,7)18-10-11-8-13(12(17)9-16)20-15(4,5)19-11/h11-13,16-17H,8-10H2,1-7H3/t11-,12-,13+/m0/s1
InChIKeyIUAIBBXKLTZCHN-RWMBFGLXSA-N
XLogP2.27
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol (CID 134970351) is (1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol is CC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H]([C@@H](O)CO)O1.
What is the InChIKey of (1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol?
The InChIKey is IUAIBBXKLTZCHN-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H32O5Si/c1-14(2,3)21(6,7)18-10-11-8-13(12(17)9-16)20-15(4,5)19-11/h11-13,16-17H,8-10H2,1-7H3/t11-,12-,13+/m0/s1.
What are the key properties of (1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol?
(1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol has a molecular weight of 320.50 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethane-1,2-diol is sourced from PubChem (CID 134970351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).