(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane

C33H66O9Si2 — CID 165077990

IUPAC(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane
SMILESC=C[C@@H](OCOC)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1C.C=C[C@@H](OCOC)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1O
InChIInChI=1S/C17H34O4Si.C16H32O5Si/c1-10-14(19-12-18-9)15-13(2)11-20-22(21-15,16(3,4)5)17(6,7)8;1-9-13(19-11-18-8)14-12(17)10-20-22(21-14,15(2,3)4)16(5,6)7/h10,13-15H,1,11-12H2,2-9H3;9,12-14,17H,1,10-11H2,2-8H3/t13-,14-,15-;12-,13-,14-/m11/s1
InChIKeyUQGPHZULMVQYIS-NYKXOGSZSA-N
MW663.05 g/mol
LogP7.24
Rot. Bonds10

About (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane

(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane (PubChem CID 165077990) has the molecular formula C33H66O9Si2 and a molecular weight of 663.05 g/mol. Its IUPAC name is (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane
PubChem CID165077990
Molecular FormulaC33H66O9Si2
Molecular Weight663.05 g/mol
Exact Mass662.42
IUPAC Name(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane
SMILESC=C[C@@H](OCOC)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1C.C=C[C@@H](OCOC)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1O
InChIInChI=1S/C17H34O4Si.C16H32O5Si/c1-10-14(19-12-18-9)15-13(2)11-20-22(21-15,16(3,4)5)17(6,7)8;1-9-13(19-11-18-8)14-12(17)10-20-22(21-14,15(2,3)4)16(5,6)7/h10,13-15H,1,11-12H2,2-9H3;9,12-14,17H,1,10-11H2,2-8H3/t13-,14-,15-;12-,13-,14-/m11/s1
InChIKeyUQGPHZULMVQYIS-NYKXOGSZSA-N
XLogP7.24
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.05
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane?
The IUPAC name of (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane (CID 165077990) is (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane.
What is the SMILES notation for (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane?
The canonical SMILES for (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane is C=C[C@@H](OCOC)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1C.C=C[C@@H](OCOC)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1O.
What is the InChIKey of (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane?
The InChIKey is UQGPHZULMVQYIS-NYKXOGSZSA-N. The full InChI is InChI=1S/C17H34O4Si.C16H32O5Si/c1-10-14(19-12-18-9)15-13(2)11-20-22(21-15,16(3,4)5)17(6,7)8;1-9-13(19-11-18-8)14-12(17)10-20-22(21-14,15(2,3)4)16(5,6)7/h10,13-15H,1,11-12H2,2-9H3;9,12-14,17H,1,10-11H2,2-8H3/t13-,14-,15-;12-,13-,14-/m11/s1.
What are the key properties of (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane?
(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane has a molecular weight of 663.05 g/mol, XLogP of 7.24, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane is sourced from PubChem (CID 165077990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).