(1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol

C30H42O2Si — CID 10322138

IUPAC(1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol
SMILESC[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CC=C2[C@H](O)CCC[C@@]21C
InChIInChI=1S/C30H42O2Si/c1-23(26-18-19-27-28(31)17-12-21-30(26,27)5)20-22-32-33(29(2,3)4,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h6-11,13-16,19,23,26,28,31H,12,17-18,20-22H2,1-5H3/t23-,26-,28-,30-/m1/s1
InChIKeyZDNWKLFSOGHPGB-TZLOCFMESA-N
MW462.75 g/mol
LogP6.09
Rot. Bonds7

About (1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol

(1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol (PubChem CID 10322138) has the molecular formula C30H42O2Si and a molecular weight of 462.75 g/mol. Its IUPAC name is (1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol.

Molecular Properties

Compound Name(1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol
PubChem CID10322138
Molecular FormulaC30H42O2Si
Molecular Weight462.75 g/mol
Exact Mass462.30
IUPAC Name(1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol
SMILESC[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CC=C2[C@H](O)CCC[C@@]21C
InChIInChI=1S/C30H42O2Si/c1-23(26-18-19-27-28(31)17-12-21-30(26,27)5)20-22-32-33(29(2,3)4,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h6-11,13-16,19,23,26,28,31H,12,17-18,20-22H2,1-5H3/t23-,26-,28-,30-/m1/s1
InChIKeyZDNWKLFSOGHPGB-TZLOCFMESA-N
XLogP6.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.75
LogP ≤ 56.09
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,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol with MolForge

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Related Compounds

[(3R)-3-[(1R,3aR,4S,7aR)-7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butoxy]-tert-butyl-diphenylsilane
CID 10370431
[(1R,2S)-2-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopropyl]methanol
CID 11025376
3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]propan-1-ol
CID 140750443
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
tert-butyl-[2-[(4R,5S,7R)-4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-6-azaspiro[4.5]decan-7-yl]ethoxy]-diphenylsilane
CID 11456044
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-2-methyloxiran-2-yl]butan-2-ol
CID 11090300
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
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CID 101065622

Frequently Asked Questions

What is the IUPAC name of (1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol?
The IUPAC name of (1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol (CID 10322138) is (1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol.
What is the SMILES notation for (1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol?
The canonical SMILES for (1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol is C[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CC=C2[C@H](O)CCC[C@@]21C.
What is the InChIKey of (1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol?
The InChIKey is ZDNWKLFSOGHPGB-TZLOCFMESA-N. The full InChI is InChI=1S/C30H42O2Si/c1-23(26-18-19-27-28(31)17-12-21-30(26,27)5)20-22-32-33(29(2,3)4,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h6-11,13-16,19,23,26,28,31H,12,17-18,20-22H2,1-5H3/t23-,26-,28-,30-/m1/s1.
What are the key properties of (1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol?
(1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol has a molecular weight of 462.75 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7aR)-1-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-7a-methyl-1,2,4,5,6,7-hexahydroinden-4-ol is sourced from PubChem (CID 10322138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).