[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol

C17H34O2Si — CID 101226525

IUPAC[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol
SMILESCC1(C)C2CC[C@@H](O[Si](C)(C)C(C)(C)C)C1C(CO)C2
InChIInChI=1S/C17H34O2Si/c1-16(2,3)20(6,7)19-14-9-8-13-10-12(11-18)15(14)17(13,4)5/h12-15,18H,8-11H2,1-7H3/t12?,13?,14-,15?/m1/s1
InChIKeyMVIJVHYNZPDBSM-MIGSVPMKSA-N
MW298.54 g/mol
LogP4.44
Rot. Bonds3

About [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol

[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol (PubChem CID 101226525) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol.

Molecular Properties

Compound Name[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol
PubChem CID101226525
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol
SMILESCC1(C)C2CC[C@@H](O[Si](C)(C)C(C)(C)C)C1C(CO)C2
InChIInChI=1S/C17H34O2Si/c1-16(2,3)20(6,7)19-14-9-8-13-10-12(11-18)15(14)17(13,4)5/h12-15,18H,8-11H2,1-7H3/t12?,13?,14-,15?/m1/s1
InChIKeyMVIJVHYNZPDBSM-MIGSVPMKSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol with MolForge

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Related Compounds

(2S)-2-[(1R,3aR,4S,7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol
CID 70880089
(1R)-1-[(3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]ethanol
CID 134969823
(R)-2-((1R,3AR,4S,7aR)-4-((tert-butyldimethylsilyl)oxy)-7a-methyloctahydro-1H-inden-1-yl)propan-1-ol
CID 10782414
(S)-2-((1R,3aR,4S,7aR)-4-((tert-butyldimethylsilyl)oxy)-7a-methyloctahydro-1H-inden-1-yl)propan-1-ol
CID 15230899
(1R,3aR,4S,7aR)-1-[(2S,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 49857308
(1R,3aR,4S,7aR)-1-[(2S,6R)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 49857310
(1R,3aR,4S,7aR)-1-[(2S)-6-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 58907929
(5S)-5-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexan-1-ol
CID 58908330
(3S)-3-[(1R,3aR,4S,7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butan-1-ol
CID 70888342
[(1R,4R,6S,7R,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-6-tricyclo[5.3.2.04,11]dodecanyl]methanol
CID 53348300
(2R)-2-[(3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol
CID 102024164
(2S)-2-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butane-1,4-diol
CID 168354368

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol?
The IUPAC name of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol (CID 101226525) is [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol.
What is the SMILES notation for [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol?
The canonical SMILES for [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol is CC1(C)C2CC[C@@H](O[Si](C)(C)C(C)(C)C)C1C(CO)C2.
What is the InChIKey of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol?
The InChIKey is MVIJVHYNZPDBSM-MIGSVPMKSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-16(2,3)20(6,7)19-14-9-8-13-10-12(11-18)15(14)17(13,4)5/h12-15,18H,8-11H2,1-7H3/t12?,13?,14-,15?/m1/s1.
What are the key properties of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol?
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol has a molecular weight of 298.54 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol is sourced from PubChem (CID 101226525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).