[(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol

C27H36O2Si — CID 173098272

IUPAC[(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol
SMILESCC(C)(C)[Si](O[C@@H]1CC[C@]2(C=C(CO)CCC2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H36O2Si/c1-26(2,3)30(24-12-6-4-7-13-24,25-14-8-5-9-15-25)29-23-16-18-27(20-23)17-10-11-22(19-27)21-28/h4-9,12-15,19,23,28H,10-11,16-18,20-21H2,1-3H3/t23-,27-/m1/s1
InChIKeyYUOLHANAVLSKOT-YIXXDRMTSA-N
MW420.67 g/mol
LogP5.20
Rot. Bonds5

About [(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol

[(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol (PubChem CID 173098272) has the molecular formula C27H36O2Si and a molecular weight of 420.67 g/mol. Its IUPAC name is [(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol
PubChem CID173098272
Molecular FormulaC27H36O2Si
Molecular Weight420.67 g/mol
Exact Mass420.25
IUPAC Name[(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol
SMILESCC(C)(C)[Si](O[C@@H]1CC[C@]2(C=C(CO)CCC2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H36O2Si/c1-26(2,3)30(24-12-6-4-7-13-24,25-14-8-5-9-15-25)29-23-16-18-27(20-23)17-10-11-22(19-27)21-28/h4-9,12-15,19,23,28H,10-11,16-18,20-21H2,1-3H3/t23-,27-/m1/s1
InChIKeyYUOLHANAVLSKOT-YIXXDRMTSA-N
XLogP5.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 55.20
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 [(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol with MolForge

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Related Compounds

1-[3-[tert-butyl(diphenyl)silyl]oxy-1-methylcyclopentyl]-2-isocyanoethanone
CID 171719073
(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10453157
(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
CID 10250796
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
tert-butyl-[[(2S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]-diphenylsilane
CID 167381101
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid
CID 69240889
1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
CID 88611275
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol?
The IUPAC name of [(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol (CID 173098272) is [(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol.
What is the SMILES notation for [(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol?
The canonical SMILES for [(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol is CC(C)(C)[Si](O[C@@H]1CC[C@]2(C=C(CO)CCC2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol?
The InChIKey is YUOLHANAVLSKOT-YIXXDRMTSA-N. The full InChI is InChI=1S/C27H36O2Si/c1-26(2,3)30(24-12-6-4-7-13-24,25-14-8-5-9-15-25)29-23-16-18-27(20-23)17-10-11-22(19-27)21-28/h4-9,12-15,19,23,28H,10-11,16-18,20-21H2,1-3H3/t23-,27-/m1/s1.
What are the key properties of [(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol?
[(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol has a molecular weight of 420.67 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol is sourced from PubChem (CID 173098272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).