(2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one

C33H38OSi — CID 11751954

IUPAC(2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one
SMILESCC(C)(C)[Si](C[C@H]1C=C(c2ccccc2)[C@]2(CCCCC2=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H38OSi/c1-32(2,3)35(28-17-9-5-10-18-28,29-19-11-6-12-20-29)25-26-23-30(27-15-7-4-8-16-27)33(24-26)22-14-13-21-31(33)34/h4-12,15-20,23,26H,13-14,21-22,24-25H2,1-3H3/t26-,33-/m0/s1
InChIKeyMOESWNOBSIDCRB-UBOZLPQGSA-N
MW478.75 g/mol
LogP7.28
Rot. Bonds5

About (2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one

(2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one (PubChem CID 11751954) has the molecular formula C33H38OSi and a molecular weight of 478.75 g/mol. Its IUPAC name is (2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one.

Molecular Properties

Compound Name(2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one
PubChem CID11751954
Molecular FormulaC33H38OSi
Molecular Weight478.75 g/mol
Exact Mass478.27
IUPAC Name(2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one
SMILESCC(C)(C)[Si](C[C@H]1C=C(c2ccccc2)[C@]2(CCCCC2=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H38OSi/c1-32(2,3)35(28-17-9-5-10-18-28,29-19-11-6-12-20-29)25-26-23-30(27-15-7-4-8-16-27)33(24-26)22-14-13-21-31(33)34/h4-12,15-20,23,26H,13-14,21-22,24-25H2,1-3H3/t26-,33-/m0/s1
InChIKeyMOESWNOBSIDCRB-UBOZLPQGSA-N
XLogP7.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.75
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
3-phenylspiro[4.5]dec-2-ene-4,10-dione
CID 15316661
(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
CID 10250796
1-[2-[[tert-butyl(diphenyl)silyl]methyl]prop-2-enyl]cyclopentan-1-ol
CID 101034326
[(3S,8aR)-spiro[3,4,6,7,8,8a-hexahydroisochromene-1,1'-cyclohexane]-3-yl]methyl-tert-butyl-diphenylsilane
CID 11167043
spiro[5.6]dodecane-5,12-dione
CID 534624
(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10453157
2-phenylspiro[2.5]octan-8-one
CID 14952236
cis-methyl (1R,2S)-2-[[tert-butyl(diphenyl)silyl]methyl]-1-(pyrrole-1-carbonyl)cyclopropane-1-carboxylate
CID 134848092
prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate
CID 24827824
tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane
CID 102506117
[(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol
CID 173098272

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one?
The IUPAC name of (2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one (CID 11751954) is (2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one.
What is the SMILES notation for (2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one?
The canonical SMILES for (2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one is CC(C)(C)[Si](C[C@H]1C=C(c2ccccc2)[C@]2(CCCCC2=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one?
The InChIKey is MOESWNOBSIDCRB-UBOZLPQGSA-N. The full InChI is InChI=1S/C33H38OSi/c1-32(2,3)35(28-17-9-5-10-18-28,29-19-11-6-12-20-29)25-26-23-30(27-15-7-4-8-16-27)33(24-26)22-14-13-21-31(33)34/h4-12,15-20,23,26H,13-14,21-22,24-25H2,1-3H3/t26-,33-/m0/s1.
What are the key properties of (2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one?
(2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one has a molecular weight of 478.75 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[[tert-butyl(diphenyl)silyl]methyl]-4-phenylspiro[4.5]dec-3-en-10-one is sourced from PubChem (CID 11751954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).