(1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol

C13H24O2Si — CID 134940880

IUPAC(1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol
SMILESC[C@@]12CCC=C[C@]1(O[Si](C)(C)C)CC[C@H]2O
InChIInChI=1S/C13H24O2Si/c1-12-8-5-6-9-13(12,10-7-11(12)14)15-16(2,3)4/h6,9,11,14H,5,7-8,10H2,1-4H3/t11-,12+,13+/m1/s1
InChIKeyPRKGRKUJMBTNCI-AGIUHOORSA-N
MW240.42 g/mol
LogP3.09
Rot. Bonds2

About (1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol

(1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol (PubChem CID 134940880) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol
PubChem CID134940880
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol
SMILESC[C@@]12CCC=C[C@]1(O[Si](C)(C)C)CC[C@H]2O
InChIInChI=1S/C13H24O2Si/c1-12-8-5-6-9-13(12,10-7-11(12)14)15-16(2,3)4/h6,9,11,14H,5,7-8,10H2,1-4H3/t11-,12+,13+/m1/s1
InChIKeyPRKGRKUJMBTNCI-AGIUHOORSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.09
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'}

Analyze (1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,4S,5S,6R,7S,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-ethenyl-7-(hydroxymethyl)-1,5,6-trimethylbicyclo[3.2.1]oct-2-en-6-ol
CID 139182701
[(1S,3R,3aR,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-7a-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-inden-3a-yl]methanol
CID 154707123
(1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol
CID 142714688
(3aR,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-1,2,3,4,7,7a-hexahydroinden-4-ol
CID 11500148
(1R,3aR,7aS)-7a-methyl-2,3,6,7-tetrahydro-1H-indene-1,3a-diol
CID 24827574
(1S,3aS,7aR)-7a-methyl-2,3,6,7-tetrahydro-1H-indene-1,3a-diol
CID 24827687
(2S,3aS,4S,7R,7aR)-2-[tert-butyl(dimethyl)silyl]oxy-7a-(hydroxymethyl)-1,2,3,3a,4,7-hexahydroindene-4,7-diol
CID 44233443
(2S,3aR,4R,7aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2,3,4,7,7a-hexahydroindene-2,4-diol
CID 44233954
7a-methyl-2,3,6,7-tetrahydro-1H-indene-1,3a-diol
CID 74326925
(1S,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5-hexahydroinden-1-ol
CID 102294083

Frequently Asked Questions

What is the IUPAC name of (1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol?
The IUPAC name of (1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol (CID 134940880) is (1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol.
What is the SMILES notation for (1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol?
The canonical SMILES for (1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol is C[C@@]12CCC=C[C@]1(O[Si](C)(C)C)CC[C@H]2O.
What is the InChIKey of (1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol?
The InChIKey is PRKGRKUJMBTNCI-AGIUHOORSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-12-8-5-6-9-13(12,10-7-11(12)14)15-16(2,3)4/h6,9,11,14H,5,7-8,10H2,1-4H3/t11-,12+,13+/m1/s1.
What are the key properties of (1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol?
(1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol has a molecular weight of 240.42 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol is sourced from PubChem (CID 134940880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).