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

C15H32O4Si — CID 25018437

IUPAC3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
SMILESCC1(C)O[C@@H](CCCO)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H32O4Si/c1-14(2,3)20(6,7)17-11-13-12(9-8-10-16)18-15(4,5)19-13/h12-13,16H,8-11H2,1-7H3/t12-,13+/m0/s1
InChIKeyAISRANHKCVNRAC-QWHCGFSZSA-N
MW304.50 g/mol
LogP3.30
Rot. Bonds6

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

3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol (PubChem CID 25018437) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is 3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
PubChem CID25018437
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
SMILESCC1(C)O[C@@H](CCCO)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H32O4Si/c1-14(2,3)20(6,7)17-11-13-12(9-8-10-16)18-15(4,5)19-13/h12-13,16H,8-11H2,1-7H3/t12-,13+/m0/s1
InChIKeyAISRANHKCVNRAC-QWHCGFSZSA-N
XLogP3.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

(2R,3R,4S,5R,6R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 10968858
2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138967635
methyl 6-O-[tert-butyl(dimethyl)silyl]-alpha-D-glucopyranoside
CID 14565209
Methyl-6-(tert-butyldimethylsilyloxy)-alpha-D-mannopyranoside
CID 22831855
2-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 49793490
(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 134949639
(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
CID 23256518
[(2R,3R)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]methanol
CID 10881697
(2S,3S,4S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
CID 11140371
(3aR,5S,6S,6aR)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11438546
(2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol
CID 11618400
[(3aR,6R,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methanol
CID 11695416

Frequently Asked Questions

What is the IUPAC name of 3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol?
The IUPAC name of 3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol (CID 25018437) is 3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol.
What is the SMILES notation for 3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol?
The canonical SMILES for 3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol is CC1(C)O[C@@H](CCCO)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol?
The InChIKey is AISRANHKCVNRAC-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-14(2,3)20(6,7)17-11-13-12(9-8-10-16)18-15(4,5)19-13/h12-13,16H,8-11H2,1-7H3/t12-,13+/m0/s1.
What are the key properties of 3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol?
3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol has a molecular weight of 304.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol is sourced from PubChem (CID 25018437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).