(1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol

C24H36O6Si — CID 11351371

IUPAC(1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol
SMILESCOc1ccc(CO[C@H]2[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)C2=C(O3)C(O)OC2)cc1
InChIInChI=1S/C24H36O6Si/c1-23(2,3)31(6,7)30-19-12-18-21(27-13-15-8-10-16(26-5)11-9-15)24(19,4)17-14-28-22(25)20(17)29-18/h8-11,18-19,21-22,25H,12-14H2,1-7H3/t18-,19-,21+,22?,24+/m1/s1
InChIKeyUEIFNAQUBSQMCO-HRCDGWGHSA-N
MW448.63 g/mol
LogP4.38
Rot. Bonds6

About (1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol

(1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol (PubChem CID 11351371) has the molecular formula C24H36O6Si and a molecular weight of 448.63 g/mol. Its IUPAC name is (1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol.

Molecular Properties

Compound Name(1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol
PubChem CID11351371
Molecular FormulaC24H36O6Si
Molecular Weight448.63 g/mol
Exact Mass448.23
IUPAC Name(1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol
SMILESCOc1ccc(CO[C@H]2[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)C2=C(O3)C(O)OC2)cc1
InChIInChI=1S/C24H36O6Si/c1-23(2,3)31(6,7)30-19-12-18-21(27-13-15-8-10-16(26-5)11-9-15)24(19,4)17-14-28-22(25)20(17)29-18/h8-11,18-19,21-22,25H,12-14H2,1-7H3/t18-,19-,21+,22?,24+/m1/s1
InChIKeyUEIFNAQUBSQMCO-HRCDGWGHSA-N
XLogP4.38
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-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

(2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-3-[(4-methoxyphenyl)methoxy]-4,4,8-trimethyl-2-phenylmethoxycyclooctan-1-one
CID 10602885
(1R,2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[(4-methoxyphenyl)methoxy]cyclobutan-1-ol
CID 11233859
tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane
CID 134896322
[(1S,2Z,4R,5R,6R,7S,8R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7,8-dihydroxy-6-[(4-methoxyphenyl)methoxy]cyclooct-2-en-1-yl] acetate
CID 102390657
[(3aR,4R,5S,6R,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-6-yl]methanol
CID 11598179
3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-2,6-bis(phenylmethoxy)cyclooctan-1-one
CID 85404241
tert-butyl-[(1S,2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-2-[2-[(8S)-8-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethyl]cyclohexyl]oxy-dimethylsilane
CID 11180140
(2S,3R,4S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2-methyl-6-phenylsulfanyloxan-4-ol
CID 11225595
[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane
CID 69221975
(1S,6S,7S,8S,9R)-7-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methyl]-5-azatricyclo[6.3.1.01,5]dodecan-9-ol
CID 11761828
(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-[(4-methoxyphenyl)methoxy]oxan-2-one
CID 101429250
(1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol
CID 25257173

Frequently Asked Questions

What is the IUPAC name of (1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol?
The IUPAC name of (1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol (CID 11351371) is (1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol.
What is the SMILES notation for (1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol?
The canonical SMILES for (1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol is COc1ccc(CO[C@H]2[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)C2=C(O3)C(O)OC2)cc1.
What is the InChIKey of (1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol?
The InChIKey is UEIFNAQUBSQMCO-HRCDGWGHSA-N. The full InChI is InChI=1S/C24H36O6Si/c1-23(2,3)31(6,7)30-19-12-18-21(27-13-15-8-10-16(26-5)11-9-15)24(19,4)17-14-28-22(25)20(17)29-18/h8-11,18-19,21-22,25H,12-14H2,1-7H3/t18-,19-,21+,22?,24+/m1/s1.
What are the key properties of (1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol?
(1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol has a molecular weight of 448.63 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-1-methyl-4,7-dioxatricyclo[6.2.1.02,6]undec-2(6)-en-5-ol is sourced from PubChem (CID 11351371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).