2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol

C25H34O3Si — CID 99772245

IUPAC2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol
SMILESC[C@@H]1CCC[C@@H](C(C)(C)O)[C@H]2CCO[Si](c3ccccc3)(c3ccccc3)O[C@@H]21
InChIInChI=1S/C25H34O3Si/c1-19-11-10-16-23(25(2,3)26)22-17-18-27-29(28-24(19)22,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,19,22-24,26H,10-11,16-18H2,1-3H3/t19-,22-,23-,24-/m1/s1
InChIKeyNBZMUASANRNDIA-OTUUDDROSA-N
MW410.63 g/mol
LogP3.87
Rot. Bonds3

About 2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol

2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol (PubChem CID 99772245) has the molecular formula C25H34O3Si and a molecular weight of 410.63 g/mol. Its IUPAC name is 2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol
PubChem CID99772245
Molecular FormulaC25H34O3Si
Molecular Weight410.63 g/mol
Exact Mass410.23
IUPAC Name2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol
SMILESC[C@@H]1CCC[C@@H](C(C)(C)O)[C@H]2CCO[Si](c3ccccc3)(c3ccccc3)O[C@@H]21
InChIInChI=1S/C25H34O3Si/c1-19-11-10-16-23(25(2,3)26)22-17-18-27-29(28-24(19)22,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,19,22-24,26H,10-11,16-18H2,1-3H3/t19-,22-,23-,24-/m1/s1
InChIKeyNBZMUASANRNDIA-OTUUDDROSA-N
XLogP3.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-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 2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol?
The IUPAC name of 2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol (CID 99772245) is 2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol.
What is the SMILES notation for 2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol?
The canonical SMILES for 2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol is C[C@@H]1CCC[C@@H](C(C)(C)O)[C@H]2CCO[Si](c3ccccc3)(c3ccccc3)O[C@@H]21.
What is the InChIKey of 2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol?
The InChIKey is NBZMUASANRNDIA-OTUUDDROSA-N. The full InChI is InChI=1S/C25H34O3Si/c1-19-11-10-16-23(25(2,3)26)22-17-18-27-29(28-24(19)22,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,19,22-24,26H,10-11,16-18H2,1-3H3/t19-,22-,23-,24-/m1/s1.
What are the key properties of 2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol?
2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol has a molecular weight of 410.63 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,7R,8R,12R)-12-methyl-3,3-diphenyl-2,4-dioxa-3-silabicyclo[5.5.0]dodecan-8-yl]propan-2-ol is sourced from PubChem (CID 99772245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).