(1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol

C16H30O2Si — CID 142714688

IUPAC(1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]2CC=CC[C@@H]2C[C@@H]1O
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-11-14-13-9-7-6-8-12(13)10-15(14)17/h6-7,12-15,17H,8-11H2,1-5H3/t12-,13-,14-,15+/m1/s1
InChIKeyJQVIVELZGBZUSS-TUVASFSCSA-N
MW282.50 g/mol
LogP3.97
Rot. Bonds3

About (1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol

(1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol (PubChem CID 142714688) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol
PubChem CID142714688
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]2CC=CC[C@@H]2C[C@@H]1O
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-11-14-13-9-7-6-8-12(13)10-15(14)17/h6-7,12-15,17H,8-11H2,1-5H3/t12-,13-,14-,15+/m1/s1
InChIKeyJQVIVELZGBZUSS-TUVASFSCSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.97
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 (1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2-Ethoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl)methanol
CID 561671
(1S,2S,3aR,4R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethyl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-ol
CID 11034272
(1R,3aS,7R,8S,8aS)-1-methyl-7-propan-2-yl-8-triethylsilyloxy-4-(trimethylsilylmethyl)-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol
CID 44521476
(1S,2R,3R,3aS,6R,7S,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-7-ethenyl-2-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 101362169
(4S,6R,7S,8S)-4-[tert-butyl(dimethyl)silyl]oxy-8-ethenyl-7-[(1S)-1-hydroxyprop-2-enyl]-1,5,6-trimethylbicyclo[3.2.1]oct-2-en-6-ol
CID 134839128
(3R,4R,5R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-(7-hydroxyheptyl)cyclopentane-1,3-diol
CID 134870373
4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane
CID 134872600
[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 134899502
(1R,3aR,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-1-ol
CID 134940880
[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 134958606
(4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-8-ethenyl-7-[(1S)-1-hydroxyprop-2-enyl]-1,5,6-trimethylbicyclo[3.2.1]oct-2-en-6-ol
CID 135073920
(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

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol?
The IUPAC name of (1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol (CID 142714688) is (1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol?
The canonical SMILES for (1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]2CC=CC[C@@H]2C[C@@H]1O.
What is the InChIKey of (1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol?
The InChIKey is JQVIVELZGBZUSS-TUVASFSCSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-11-14-13-9-7-6-8-12(13)10-15(14)17/h6-7,12-15,17H,8-11H2,1-5H3/t12-,13-,14-,15+/m1/s1.
What are the key properties of (1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol?
(1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol has a molecular weight of 282.50 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3aR,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,3a,4,7,7a-hexahydro-1H-inden-2-ol is sourced from PubChem (CID 142714688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).