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

C16H32O5Si — CID 164606419

IUPAC(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol
SMILESC=C[C@@H](OCOC)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1O
InChIInChI=1S/C16H32O5Si/c1-9-13(19-11-18-8)14-12(17)10-20-22(21-14,15(2,3)4)16(5,6)7/h9,12-14,17H,1,10-11H2,2-8H3/t12-,13-,14-/m1/s1
InChIKeyNWGHMYRUUQJJCI-MGPQQGTHSA-N
MW332.51 g/mol
LogP2.98
Rot. Bonds5

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]-1,3,2-dioxasilinan-5-ol (PubChem CID 164606419) has the molecular formula C16H32O5Si and a molecular weight of 332.51 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.

Molecular Properties

Compound Name(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol
PubChem CID164606419
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol
SMILESC=C[C@@H](OCOC)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1O
InChIInChI=1S/C16H32O5Si/c1-9-13(19-11-18-8)14-12(17)10-20-22(21-14,15(2,3)4)16(5,6)7/h9,12-14,17H,1,10-11H2,2-8H3/t12-,13-,14-/m1/s1
InChIKeyNWGHMYRUUQJJCI-MGPQQGTHSA-N
XLogP2.98
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
The IUPAC name of (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol (CID 164606419) is (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol.
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?
The canonical SMILES for (4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol is 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?
The InChIKey is NWGHMYRUUQJJCI-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-9-13(19-11-18-8)14-12(17)10-20-22(21-14,15(2,3)4)16(5,6)7/h9,12-14,17H,1,10-11H2,2-8H3/t12-,13-,14-/m1/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]-1,3,2-dioxasilinan-5-ol has a molecular weight of 332.51 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 164606419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).