(1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol

C30H36O5Si — CID 56945937

IUPAC(1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol
SMILESCOc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc2c1[C@H]1C[C@](C)(C[C@H](O)O1)O2
InChIInChI=1S/C30H36O5Si/c1-29(2,3)36(22-12-8-6-9-13-22,23-14-10-7-11-15-23)33-20-21-16-24(32-5)28-25(17-21)35-30(4)18-26(28)34-27(31)19-30/h6-17,26-27,31H,18-20H2,1-5H3/t26-,27-,30-/m1/s1
InChIKeyQXZGVHLZJUDBAA-YCVRVPNXSA-N
MW504.70 g/mol
LogP5.09
Rot. Bonds6

About (1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol

(1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol (PubChem CID 56945937) has the molecular formula C30H36O5Si and a molecular weight of 504.70 g/mol. Its IUPAC name is (1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol.

Molecular Properties

Compound Name(1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol
PubChem CID56945937
Molecular FormulaC30H36O5Si
Molecular Weight504.70 g/mol
Exact Mass504.23
IUPAC Name(1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol
SMILESCOc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc2c1[C@H]1C[C@](C)(C[C@H](O)O1)O2
InChIInChI=1S/C30H36O5Si/c1-29(2,3)36(22-12-8-6-9-13-22,23-14-10-7-11-15-23)33-20-21-16-24(32-5)28-25(17-21)35-30(4)18-26(28)34-27(31)19-30/h6-17,26-27,31H,18-20H2,1-5H3/t26-,27-,30-/m1/s1
InChIKeyQXZGVHLZJUDBAA-YCVRVPNXSA-N
XLogP5.09
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.70
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol 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

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11486184
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11269381
(2S)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyanilino]-3-phenylpropanoic acid
CID 70073946
[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
CID 171654224
(3S,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-5-(6-methoxy-1,3-benzodioxol-5-yl)oxolan-3-ol
CID 10918535
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
[(E,3R)-1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pent-1-en-3-yl] acetate
CID 101059127
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
tert-butyl-[[2-chloro-5-[(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-3-methoxyphenyl]methoxy]-diphenylsilane
CID 90086857

Frequently Asked Questions

What is the IUPAC name of (1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol?
The IUPAC name of (1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol (CID 56945937) is (1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol.
What is the SMILES notation for (1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol?
The canonical SMILES for (1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol is COc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc2c1[C@H]1C[C@](C)(C[C@H](O)O1)O2.
What is the InChIKey of (1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol?
The InChIKey is QXZGVHLZJUDBAA-YCVRVPNXSA-N. The full InChI is InChI=1S/C30H36O5Si/c1-29(2,3)36(22-12-8-6-9-13-22,23-14-10-7-11-15-23)33-20-21-16-24(32-5)28-25(17-21)35-30(4)18-26(28)34-27(31)19-30/h6-17,26-27,31H,18-20H2,1-5H3/t26-,27-,30-/m1/s1.
What are the key properties of (1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol?
(1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol has a molecular weight of 504.70 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,11R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-ol is sourced from PubChem (CID 56945937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).