tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane

C19H34O4Si — CID 11210437

IUPACtert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
SMILESC/C=C/C1CC(O[Si](C)(C)C(C)(C)C)=CC([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C19H34O4Si/c1-9-10-14-11-15(23-24(7,8)18(2,3)4)12-16(21-14)17-13-20-19(5,6)22-17/h9-10,12,14,16-17H,11,13H2,1-8H3/b10-9+/t14?,16?,17-/m1/s1
InChIKeyRRSRZKCSQVQKFP-NBZADRRUSA-N
MW354.56 g/mol
LogP4.78
Rot. Bonds4

About tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane

tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (PubChem CID 11210437) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
PubChem CID11210437
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Nametert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
SMILESC/C=C/C1CC(O[Si](C)(C)C(C)(C)C)=CC([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C19H34O4Si/c1-9-10-14-11-15(23-24(7,8)18(2,3)4)12-16(21-14)17-13-20-19(5,6)22-17/h9-10,12,14,16-17H,11,13H2,1-8H3/b10-9+/t14?,16?,17-/m1/s1
InChIKeyRRSRZKCSQVQKFP-NBZADRRUSA-N
XLogP4.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.78
H-Bond Donors ≤ 50
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 tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (CID 11210437) is tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is C/C=C/C1CC(O[Si](C)(C)C(C)(C)C)=CC([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The InChIKey is RRSRZKCSQVQKFP-NBZADRRUSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-9-10-14-11-15(23-24(7,8)18(2,3)4)12-16(21-14)17-13-20-19(5,6)22-17/h9-10,12,14,16-17H,11,13H2,1-8H3/b10-9+/t14?,16?,17-/m1/s1.
What are the key properties of tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane has a molecular weight of 354.56 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11210437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).