2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane

C27H48O4Si — CID 132594869

IUPAC2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCO[C@@]1(C)C[C@@H]2OCC3=CC[C@](C)(CCC=C(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@]32O1
InChIInChI=1S/C27H48O4Si/c1-20(2)12-11-15-25(6)16-13-21-19-29-23-18-26(7,28-8)31-27(21,23)22(25)14-17-30-32(9,10)24(3,4)5/h12-13,22-23H,11,14-19H2,1-10H3/t22-,23+,25+,26-,27-/m1/s1
InChIKeyBUJINRIFEXWHAQ-BDYXOVRASA-N
MW464.76 g/mol
LogP7.02
Rot. Bonds8

About 2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane

2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 132594869) has the molecular formula C27H48O4Si and a molecular weight of 464.76 g/mol. Its IUPAC name is 2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID132594869
Molecular FormulaC27H48O4Si
Molecular Weight464.76 g/mol
Exact Mass464.33
IUPAC Name2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCO[C@@]1(C)C[C@@H]2OCC3=CC[C@](C)(CCC=C(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@]32O1
InChIInChI=1S/C27H48O4Si/c1-20(2)12-11-15-25(6)16-13-21-19-29-23-18-26(7,28-8)31-27(21,23)22(25)14-17-30-32(9,10)24(3,4)5/h12-13,22-23H,11,14-19H2,1-10H3/t22-,23+,25+,26-,27-/m1/s1
InChIKeyBUJINRIFEXWHAQ-BDYXOVRASA-N
XLogP7.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.76
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane (CID 132594869) is 2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane is CO[C@@]1(C)C[C@@H]2OCC3=CC[C@](C)(CCC=C(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@]32O1.
What is the InChIKey of 2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is BUJINRIFEXWHAQ-BDYXOVRASA-N. The full InChI is InChI=1S/C27H48O4Si/c1-20(2)12-11-15-25(6)16-13-21-19-29-23-18-26(7,28-8)31-27(21,23)22(25)14-17-30-32(9,10)24(3,4)5/h12-13,22-23H,11,14-19H2,1-10H3/t22-,23+,25+,26-,27-/m1/s1.
What are the key properties of 2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane?
2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 464.76 g/mol, XLogP of 7.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3aS,8S,9R,9aS)-2-methoxy-2,8-dimethyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 132594869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).