[(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate

C16H30O7Si — CID 101073985

IUPAC[(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate
SMILESCC(=O)O[C@H](/C(O)=C/O)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1O
InChIInChI=1S/C16H30O7Si/c1-10(18)22-13(11(19)8-17)14-12(20)9-21-24(23-14,15(2,3)4)16(5,6)7/h8,12-14,17,19-20H,9H2,1-7H3/b11-8-/t12-,13-,14-/m1/s1
InChIKeyQRVFPGVDARARQC-QSESBOCJSA-N
MW362.50 g/mol
LogP2.69
Rot. Bonds3

About [(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate

[(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate (PubChem CID 101073985) has the molecular formula C16H30O7Si and a molecular weight of 362.50 g/mol. Its IUPAC name is [(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate.

Molecular Properties

Compound Name[(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate
PubChem CID101073985
Molecular FormulaC16H30O7Si
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name[(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate
SMILESCC(=O)O[C@H](/C(O)=C/O)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1O
InChIInChI=1S/C16H30O7Si/c1-10(18)22-13(11(19)8-17)14-12(20)9-21-24(23-14,15(2,3)4)16(5,6)7/h8,12-14,17,19-20H,9H2,1-7H3/b11-8-/t12-,13-,14-/m1/s1
InChIKeyQRVFPGVDARARQC-QSESBOCJSA-N
XLogP2.69
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate 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 [(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate?
The IUPAC name of [(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate (CID 101073985) is [(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate.
What is the SMILES notation for [(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate?
The canonical SMILES for [(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate is CC(=O)O[C@H](/C(O)=C/O)[C@@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1O.
What is the InChIKey of [(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate?
The InChIKey is QRVFPGVDARARQC-QSESBOCJSA-N. The full InChI is InChI=1S/C16H30O7Si/c1-10(18)22-13(11(19)8-17)14-12(20)9-21-24(23-14,15(2,3)4)16(5,6)7/h8,12-14,17,19-20H,9H2,1-7H3/b11-8-/t12-,13-,14-/m1/s1.
What are the key properties of [(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate?
[(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate has a molecular weight of 362.50 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,1S)-1-[(4R,5R)-2,2-ditert-butyl-5-hydroxy-1,3,2-dioxasilinan-4-yl]-2,3-dihydroxyprop-2-enyl] acetate is sourced from PubChem (CID 101073985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).