5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol

C15H30O4Si — CID 102147244

IUPAC5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OCC(O)(/C=C\CO[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C15H30O4Si/c1-13(2,3)20(6,7)19-10-8-9-15(16)11-17-14(4,5)18-12-15/h8-9,16H,10-12H2,1-7H3/b9-8-
InChIKeyIOVORNSCMKRPLE-HJWRWDBZSA-N
MW302.49 g/mol
LogP3.08
Rot. Bonds4

About 5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol

5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol (PubChem CID 102147244) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol
PubChem CID102147244
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OCC(O)(/C=C\CO[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C15H30O4Si/c1-13(2,3)20(6,7)19-10-8-9-15(16)11-17-14(4,5)18-12-15/h8-9,16H,10-12H2,1-7H3/b9-8-
InChIKeyIOVORNSCMKRPLE-HJWRWDBZSA-N
XLogP3.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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'}

Analyze 5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol with MolForge

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Related Compounds

tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane
CID 124629180
tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane
CID 10968526
(E)-4-[tert-butyl(dimethyl)silyl]oxy-N-methylbut-2-en-1-amine
CID 125478313
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate
CID 11054827
[(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol
CID 53391687
tert-butyl-dimethyl-[(Z)-pent-2-en-4-ynoxy]silane
CID 135083715

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The IUPAC name of 5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol (CID 102147244) is 5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol.
What is the SMILES notation for 5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The canonical SMILES for 5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol is CC1(C)OCC(O)(/C=C\CO[Si](C)(C)C(C)(C)C)CO1.
What is the InChIKey of 5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The InChIKey is IOVORNSCMKRPLE-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-13(2,3)20(6,7)19-10-8-9-15(16)11-17-14(4,5)18-12-15/h8-9,16H,10-12H2,1-7H3/b9-8-.
What are the key properties of 5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol?
5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol has a molecular weight of 302.49 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol is sourced from PubChem (CID 102147244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).