(1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol

C16H30O2Si — CID 11119566

IUPAC(1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC2=C[C@H](O)CC[C@]21C
InChIInChI=1S/C16H30O2Si/c1-15(2,3)19(5,6)18-14-8-7-12-11-13(17)9-10-16(12,14)4/h11,13-14,17H,7-10H2,1-6H3/t13-,14-,16-/m1/s1
InChIKeyHYSQHZARFSJLLR-IIAWOOMASA-N
MW282.50 g/mol
LogP4.26
Rot. Bonds2

About (1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol

(1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol (PubChem CID 11119566) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol.

Molecular Properties

Compound Name(1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol
PubChem CID11119566
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC2=C[C@H](O)CC[C@]21C
InChIInChI=1S/C16H30O2Si/c1-15(2,3)19(5,6)18-14-8-7-12-11-13(17)9-10-16(12,14)4/h11,13-14,17H,7-10H2,1-6H3/t13-,14-,16-/m1/s1
InChIKeyHYSQHZARFSJLLR-IIAWOOMASA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 11426466
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
(1S,5S,7aS)-7a-methyl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-ol
CID 134880423
(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2,2-dimethyl-4-methylidenecyclopentan-1-ol
CID 134982969
(1S,5R,7aS)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-7a-methyl-1-propan-2-yl-1,2,3,5,6,7-hexahydroinden-5-ol
CID 162414441
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]methanol
CID 10541081
(4R,5S)-7-methyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1,4-diol
CID 15834938
(4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol
CID 71129640
(3aR,4R,5S)-7-methyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1,4-diol
CID 10567894
(1R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol
CID 10967996
(S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
CID 11080315
(4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4a-(3-hydroxypropyl)-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 11405088

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol?
The IUPAC name of (1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol (CID 11119566) is (1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol.
What is the SMILES notation for (1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol?
The canonical SMILES for (1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol is CC(C)(C)[Si](C)(C)O[C@@H]1CCC2=C[C@H](O)CC[C@]21C.
What is the InChIKey of (1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol?
The InChIKey is HYSQHZARFSJLLR-IIAWOOMASA-N. The full InChI is InChI=1S/C16H30O2Si/c1-15(2,3)19(5,6)18-14-8-7-12-11-13(17)9-10-16(12,14)4/h11,13-14,17H,7-10H2,1-6H3/t13-,14-,16-/m1/s1.
What are the key properties of (1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol?
(1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol has a molecular weight of 282.50 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol is sourced from PubChem (CID 11119566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).