hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane

C22H38O4Si — CID 88930959

IUPAChydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane
SMILESCO[C@@H]1C(CC(C)(C)[Si](C)(C)O)=CC[C@]2(CO2)[C@H]1C1(C)O[C@@H]1CC=C(C)C
InChIInChI=1S/C22H38O4Si/c1-15(2)9-10-17-21(5,26-17)19-18(24-6)16(11-12-22(19)14-25-22)13-20(3,4)27(7,8)23/h9,11,17-19,23H,10,12-14H2,1-8H3/t17-,18-,19-,21?,22+/m1/s1
InChIKeyMCCXTPWBYAAUEF-IWOVDKSMSA-N
MW394.63 g/mol
LogP4.60
Rot. Bonds7

About hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane

hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane (PubChem CID 88930959) has the molecular formula C22H38O4Si and a molecular weight of 394.63 g/mol. Its IUPAC name is hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane.

Molecular Properties

Compound Namehydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane
PubChem CID88930959
Molecular FormulaC22H38O4Si
Molecular Weight394.63 g/mol
Exact Mass394.25
IUPAC Namehydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane
SMILESCO[C@@H]1C(CC(C)(C)[Si](C)(C)O)=CC[C@]2(CO2)[C@H]1C1(C)O[C@@H]1CC=C(C)C
InChIInChI=1S/C22H38O4Si/c1-15(2)9-10-17-21(5,26-17)19-18(24-6)16(11-12-22(19)14-25-22)13-20(3,4)27(7,8)23/h9,11,17-19,23H,10,12-14H2,1-8H3/t17-,18-,19-,21?,22+/m1/s1
InChIKeyMCCXTPWBYAAUEF-IWOVDKSMSA-N
XLogP4.60
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.63
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane?
The IUPAC name of hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane (CID 88930959) is hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane.
What is the SMILES notation for hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane?
The canonical SMILES for hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane is CO[C@@H]1C(CC(C)(C)[Si](C)(C)O)=CC[C@]2(CO2)[C@H]1C1(C)O[C@@H]1CC=C(C)C.
What is the InChIKey of hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane?
The InChIKey is MCCXTPWBYAAUEF-IWOVDKSMSA-N. The full InChI is InChI=1S/C22H38O4Si/c1-15(2)9-10-17-21(5,26-17)19-18(24-6)16(11-12-22(19)14-25-22)13-20(3,4)27(7,8)23/h9,11,17-19,23H,10,12-14H2,1-8H3/t17-,18-,19-,21?,22+/m1/s1.
What are the key properties of hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane?
hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane has a molecular weight of 394.63 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[1-[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]-2-methylpropan-2-yl]-dimethylsilane is sourced from PubChem (CID 88930959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).