[(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane

C27H44O3Si — CID 134959842

IUPAC[(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane
SMILESCOC[C@@H]1C2CC([C@@H]3C2c2ccccc2[C@@H]3O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1COC
InChIInChI=1S/C27H44O3Si/c1-16(2)31(17(3)4,18(5)6)30-27-20-12-10-9-11-19(20)25-21-13-22(26(25)27)24(15-29-8)23(21)14-28-7/h9-12,16-18,21-27H,13-15H2,1-8H3/t21?,22?,23-,24-,25?,26-,27+/m1/s1
InChIKeyXXGZSDXZAAFSQQ-BCTJGHAXSA-N
MW444.73 g/mol
LogP6.81
Rot. Bonds9

About [(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane

[(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane (PubChem CID 134959842) has the molecular formula C27H44O3Si and a molecular weight of 444.73 g/mol. Its IUPAC name is [(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane
PubChem CID134959842
Molecular FormulaC27H44O3Si
Molecular Weight444.73 g/mol
Exact Mass444.31
IUPAC Name[(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane
SMILESCOC[C@@H]1C2CC([C@@H]3C2c2ccccc2[C@@H]3O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1COC
InChIInChI=1S/C27H44O3Si/c1-16(2)31(17(3)4,18(5)6)30-27-20-12-10-9-11-19(20)25-21-13-22(26(25)27)24(15-29-8)23(21)14-28-7/h9-12,16-18,21-27H,13-15H2,1-8H3/t21?,22?,23-,24-,25?,26-,27+/m1/s1
InChIKeyXXGZSDXZAAFSQQ-BCTJGHAXSA-N
XLogP6.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.73
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane with MolForge

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

Launch Full Analysis

Related Compounds

[(1S,9R,10R)-5-fluoro-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 134959747
tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane
CID 134959844
[(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane
CID 134833685
tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
CID 134959745
[(1S,9R,10R)-5-tert-butyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 134959746
tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
CID 134959748
[(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 134959841
tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
CID 134959843
[(1S,2R,9S,10S,11R)-5-fluoro-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 53391773
CID 58092066
CID 58092066
tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 67813952
[3-cyclopenta-1,3-dien-1-yl-1-(9H-fluoren-3-yl)pentoxy]-triethylsilane
CID 69853076

Frequently Asked Questions

What is the IUPAC name of [(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane (CID 134959842) is [(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane is COC[C@@H]1C2CC([C@@H]3C2c2ccccc2[C@@H]3O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1COC.
What is the InChIKey of [(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane?
The InChIKey is XXGZSDXZAAFSQQ-BCTJGHAXSA-N. The full InChI is InChI=1S/C27H44O3Si/c1-16(2)31(17(3)4,18(5)6)30-27-20-12-10-9-11-19(20)25-21-13-22(26(25)27)24(15-29-8)23(21)14-28-7/h9-12,16-18,21-27H,13-15H2,1-8H3/t21?,22?,23-,24-,25?,26-,27+/m1/s1.
What are the key properties of [(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane?
[(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane has a molecular weight of 444.73 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134959842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).