(4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol

C15H30O4Si — CID 134831987

IUPAC(4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol
SMILESC/C=C/[C@H]1OC(O)C[C@]1(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-7-8-12-15(17,11-13(16)19-12)9-10-18-20(5,6)14(2,3)4/h7-8,12-13,16-17H,9-11H2,1-6H3/b8-7+/t12-,13?,15-/m1/s1
InChIKeyKVTSQBGRHBYOSE-MYZDZPAFSA-N
MW302.49 g/mol
LogP2.81
Rot. Bonds5

About (4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol

(4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol (PubChem CID 134831987) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol.

Molecular Properties

Compound Name(4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol
PubChem CID134831987
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol
SMILESC/C=C/[C@H]1OC(O)C[C@]1(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-7-8-12-15(17,11-13(16)19-12)9-10-18-20(5,6)14(2,3)4/h7-8,12-13,16-17H,9-11H2,1-6H3/b8-7+/t12-,13?,15-/m1/s1
InChIKeyKVTSQBGRHBYOSE-MYZDZPAFSA-N
XLogP2.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
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 (4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol?
The IUPAC name of (4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol (CID 134831987) is (4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol.
What is the SMILES notation for (4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol?
The canonical SMILES for (4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol is C/C=C/[C@H]1OC(O)C[C@]1(O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol?
The InChIKey is KVTSQBGRHBYOSE-MYZDZPAFSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-7-8-12-15(17,11-13(16)19-12)9-10-18-20(5,6)14(2,3)4/h7-8,12-13,16-17H,9-11H2,1-6H3/b8-7+/t12-,13?,15-/m1/s1.
What are the key properties of (4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol?
(4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol has a molecular weight of 302.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-prop-1-enyl]oxolane-2,4-diol is sourced from PubChem (CID 134831987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).