(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol

C17H36O4Si — CID 71523786

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol
SMILESC[C@H]1COC(C)(C)O[C@H]([C@H](CCO)O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H36O4Si/c1-13-11-15(20-17(5,6)19-12-13)14(9-10-18)21-22(7,8)16(2,3)4/h13-15,18H,9-12H2,1-8H3/t13-,14+,15+/m1/s1
InChIKeyKCDUEBXQEZQKEM-ILXRZTDVSA-N
MW332.56 g/mol
LogP3.94
Rot. Bonds5

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol (PubChem CID 71523786) has the molecular formula C17H36O4Si and a molecular weight of 332.56 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol
PubChem CID71523786
Molecular FormulaC17H36O4Si
Molecular Weight332.56 g/mol
Exact Mass332.24
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol
SMILESC[C@H]1COC(C)(C)O[C@H]([C@H](CCO)O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H36O4Si/c1-13-11-15(20-17(5,6)19-12-13)14(9-10-18)21-22(7,8)16(2,3)4/h13-15,18H,9-12H2,1-8H3/t13-,14+,15+/m1/s1
InChIKeyKCDUEBXQEZQKEM-ILXRZTDVSA-N
XLogP3.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol
CID 10961103
[(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol
CID 15981859
3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 44515758
(2S,3R,6S,7R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,7-dimethyloxepane-3,6-diol
CID 51050895
(1R,2S,3R,4R)-4-[(4R,5S,6R)-6-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 53473906
(1S,2S,3S,4R)-4-[(4R,5S,6R)-6-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 53473909
[(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol
CID 71523827
(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol
CID 100999902
[(4s,5s)-5-[(s)-3-(t-Butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 129843188
(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863684
(2R,3R,4R)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863685
(2R,3S,4S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863689

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol (CID 71523786) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol is C[C@H]1COC(C)(C)O[C@H]([C@H](CCO)O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol?
The InChIKey is KCDUEBXQEZQKEM-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H36O4Si/c1-13-11-15(20-17(5,6)19-12-13)14(9-10-18)21-22(7,8)16(2,3)4/h13-15,18H,9-12H2,1-8H3/t13-,14+,15+/m1/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol has a molecular weight of 332.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol is sourced from PubChem (CID 71523786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).