(1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one

C27H34O2Si — CID 10574069

IUPAC(1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one
SMILESC[C@H]1C(=O)[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]3CC[C@H]1[C@@H]32
InChIInChI=1S/C27H34O2Si/c1-18-21-15-16-22-24(17-23(25(21)22)26(18)28)29-30(27(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-25H,15-17H2,1-4H3/t18-,21-,22+,23-,24+,25+/m1/s1
InChIKeyVKWYHZRULSDXNJ-MMNWGEBOSA-N
MW418.65 g/mol
LogP4.81
Rot. Bonds4

About (1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one

(1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one (PubChem CID 10574069) has the molecular formula C27H34O2Si and a molecular weight of 418.65 g/mol. Its IUPAC name is (1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one.

Molecular Properties

Compound Name(1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one
PubChem CID10574069
Molecular FormulaC27H34O2Si
Molecular Weight418.65 g/mol
Exact Mass418.23
IUPAC Name(1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one
SMILESC[C@H]1C(=O)[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]3CC[C@H]1[C@@H]32
InChIInChI=1S/C27H34O2Si/c1-18-21-15-16-22-24(17-23(25(21)22)26(18)28)29-30(27(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-25H,15-17H2,1-4H3/t18-,21-,22+,23-,24+,25+/m1/s1
InChIKeyVKWYHZRULSDXNJ-MMNWGEBOSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.65
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one 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

(1R,4R,5S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-5-hydroxytricyclo[5.2.1.04,10]decan-2-one
CID 99772296
(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
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692304
2-[(1R,2S,4R,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 58951233
(1S,2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-1,5-dimethylcyclohexane-1,2-diol
CID 11718250
methyl (1R,4aS,6S,7R,7aS)-6-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CID 171783207
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one?
The IUPAC name of (1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one (CID 10574069) is (1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one.
What is the SMILES notation for (1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one?
The canonical SMILES for (1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one is C[C@H]1C(=O)[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]3CC[C@H]1[C@@H]32.
What is the InChIKey of (1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one?
The InChIKey is VKWYHZRULSDXNJ-MMNWGEBOSA-N. The full InChI is InChI=1S/C27H34O2Si/c1-18-21-15-16-22-24(17-23(25(21)22)26(18)28)29-30(27(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-25H,15-17H2,1-4H3/t18-,21-,22+,23-,24+,25+/m1/s1.
What are the key properties of (1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one?
(1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one has a molecular weight of 418.65 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S,7R,8S,10S)-8-[tert-butyl(diphenyl)silyl]oxy-3-methyltricyclo[5.2.1.04,10]decan-2-one is sourced from PubChem (CID 10574069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).