methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate

C27H44O5Si — CID 134850672

IUPACmethyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate
SMILESC=CC[C@@H]1C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](Cc2cccc(OC)c2C(=O)OC)O1
InChIInChI=1S/C27H44O5Si/c1-10-12-22-16-24(32-33(18(2)3,19(4)5)20(6)7)17-23(31-22)15-21-13-11-14-25(29-8)26(21)27(28)30-9/h10-11,13-14,18-20,22-24H,1,12,15-17H2,2-9H3/t22-,23-,24-/m1/s1
InChIKeyORMIRJYPBZAUQU-WXFUMESZSA-N
MW476.73 g/mol
LogP6.71
Rot. Bonds11

About methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate

methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate (PubChem CID 134850672) has the molecular formula C27H44O5Si and a molecular weight of 476.73 g/mol. Its IUPAC name is methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate
PubChem CID134850672
Molecular FormulaC27H44O5Si
Molecular Weight476.73 g/mol
Exact Mass476.30
IUPAC Namemethyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate
SMILESC=CC[C@@H]1C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](Cc2cccc(OC)c2C(=O)OC)O1
InChIInChI=1S/C27H44O5Si/c1-10-12-22-16-24(32-33(18(2)3,19(4)5)20(6)7)17-23(31-22)15-21-13-11-14-25(29-8)26(21)27(28)30-9/h10-11,13-14,18-20,22-24H,1,12,15-17H2,2-9H3/t22-,23-,24-/m1/s1
InChIKeyORMIRJYPBZAUQU-WXFUMESZSA-N
XLogP6.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.73
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate 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 methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate?
The IUPAC name of methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate (CID 134850672) is methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate?
The canonical SMILES for methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate is C=CC[C@@H]1C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](Cc2cccc(OC)c2C(=O)OC)O1.
What is the InChIKey of methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate?
The InChIKey is ORMIRJYPBZAUQU-WXFUMESZSA-N. The full InChI is InChI=1S/C27H44O5Si/c1-10-12-22-16-24(32-33(18(2)3,19(4)5)20(6)7)17-23(31-22)15-21-13-11-14-25(29-8)26(21)27(28)30-9/h10-11,13-14,18-20,22-24H,1,12,15-17H2,2-9H3/t22-,23-,24-/m1/s1.
What are the key properties of methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate?
methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate has a molecular weight of 476.73 g/mol, XLogP of 6.71, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-[[(2R,4R,6R)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]benzoate is sourced from PubChem (CID 134850672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).