(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

C15H30O4Si — CID 11426631

IUPAC(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-9-12-13(19-15(5,6)18-12)11(16)10-17-20(7,8)14(2,3)4/h9,11-13,16H,1,10H2,2-8H3/t11-,12-,13-/m1/s1
InChIKeyFBSNLZCNFWVAEX-JHJVBQTASA-N
MW302.49 g/mol
LogP3.08
Rot. Bonds5

About (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 11426631) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID11426631
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-9-12-13(19-15(5,6)18-12)11(16)10-17-20(7,8)14(2,3)4/h9,11-13,16H,1,10H2,2-8H3/t11-,12-,13-/m1/s1
InChIKeyFBSNLZCNFWVAEX-JHJVBQTASA-N
XLogP3.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 11426631) is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is C=C[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is FBSNLZCNFWVAEX-JHJVBQTASA-N. The full InChI is InChI=1S/C15H30O4Si/c1-9-12-13(19-15(5,6)18-12)11(16)10-17-20(7,8)14(2,3)4/h9,11-13,16H,1,10H2,2-8H3/t11-,12-,13-/m1/s1.
What are the key properties of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 302.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 11426631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).