(1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one

C26H32O3Si — CID 99772296

IUPAC(1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one
SMILESCC(C)(C)[Si](O[C@H]1C[C@H]2C(=O)C[C@@H]3[C@H]2[C@H]1C[C@@H]3O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32O3Si/c1-26(2,3)30(17-10-6-4-7-11-17,18-12-8-5-9-13-18)29-24-16-20-22(27)14-19-23(28)15-21(24)25(19)20/h4-13,19-21,23-25,28H,14-16H2,1-3H3/t19-,20-,21-,23-,24-,25+/m0/s1
InChIKeySKNAAGUCAHOXDL-ADOUWIFLSA-N
MW420.63 g/mol
LogP3.54
Rot. Bonds4

About (1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one

(1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one (PubChem CID 99772296) has the molecular formula C26H32O3Si and a molecular weight of 420.63 g/mol. Its IUPAC name is (1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one.

Molecular Properties

Compound Name(1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one
PubChem CID99772296
Molecular FormulaC26H32O3Si
Molecular Weight420.63 g/mol
Exact Mass420.21
IUPAC Name(1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one
SMILESCC(C)(C)[Si](O[C@H]1C[C@H]2C(=O)C[C@@H]3[C@H]2[C@H]1C[C@@H]3O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32O3Si/c1-26(2,3)30(17-10-6-4-7-11-17,18-12-8-5-9-13-18)29-24-16-20-22(27)14-19-23(28)15-21(24)25(19)20/h4-13,19-21,23-25,28H,14-16H2,1-3H3/t19-,20-,21-,23-,24-,25+/m0/s1
InChIKeySKNAAGUCAHOXDL-ADOUWIFLSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.63
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one
CID 10574069
(1R,3aS,4R,5R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-1,4-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 90681892
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(1S,3aR,5R,6R,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-6-methyl-1-(3-methylbut-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 90681897
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
trans-(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(1,3-dioxan-2-yl)cyclohexan-1-one
CID 10252605
(1R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-ol
CID 11739262
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692304
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one?
The IUPAC name of (1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one (CID 99772296) is (1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one.
What is the SMILES notation for (1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one?
The canonical SMILES for (1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one is CC(C)(C)[Si](O[C@H]1C[C@H]2C(=O)C[C@@H]3[C@H]2[C@H]1C[C@@H]3O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one?
The InChIKey is SKNAAGUCAHOXDL-ADOUWIFLSA-N. The full InChI is InChI=1S/C26H32O3Si/c1-26(2,3)30(17-10-6-4-7-11-17,18-12-8-5-9-13-18)29-24-16-20-22(27)14-19-23(28)15-21(24)25(19)20/h4-13,19-21,23-25,28H,14-16H2,1-3H3/t19-,20-,21-,23-,24-,25+/m0/s1.
What are the key properties of (1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one?
(1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one has a molecular weight of 420.63 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one is sourced from PubChem (CID 99772296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).