[(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C15H32O4Si — CID 54768208

IUPAC[(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESC[C@H](C[C@H]1OC(C)(C)O[C@H]1CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-11(19-20(7,8)14(2,3)4)9-12-13(10-16)18-15(5,6)17-12/h11-13,16H,9-10H2,1-8H3/t11-,12-,13+/m1/s1
InChIKeyNCIFRYNAIFQVPI-UPJWGTAASA-N
MW304.50 g/mol
LogP3.30
Rot. Bonds5

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

[(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 54768208) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is [(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID54768208
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name[(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESC[C@H](C[C@H]1OC(C)(C)O[C@H]1CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-11(19-20(7,8)14(2,3)4)9-12-13(10-16)18-15(5,6)17-12/h11-13,16H,9-10H2,1-8H3/t11-,12-,13+/m1/s1
InChIKeyNCIFRYNAIFQVPI-UPJWGTAASA-N
XLogP3.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 [(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 54768208) is [(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is C[C@H](C[C@H]1OC(C)(C)O[C@H]1CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is NCIFRYNAIFQVPI-UPJWGTAASA-N. The full InChI is InChI=1S/C15H32O4Si/c1-11(19-20(7,8)14(2,3)4)9-12-13(10-16)18-15(5,6)17-12/h11-13,16H,9-10H2,1-8H3/t11-,12-,13+/m1/s1.
What are the key properties of [(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 304.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 54768208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).