(4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one

C20H27NO3Si — CID 59843823

IUPAC(4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one
SMILESC=C1C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@H](O[Si](C)(C)C)[C@@H]1C
InChIInChI=1S/C20H27NO3Si/c1-15-11-12-20(19(16(15)2)24-25(3,4)5)13-18(22)21(20)23-14-17-9-7-6-8-10-17/h6-12,16,19H,1,13-14H2,2-5H3/t16-,19-,20+/m1/s1
InChIKeyUJCCXMXOYVXSCR-AHRSYUTCSA-N
MW357.53 g/mol
LogP4.07
Rot. Bonds5

About (4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one

(4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one (PubChem CID 59843823) has the molecular formula C20H27NO3Si and a molecular weight of 357.53 g/mol. Its IUPAC name is (4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one.

Molecular Properties

Compound Name(4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one
PubChem CID59843823
Molecular FormulaC20H27NO3Si
Molecular Weight357.53 g/mol
Exact Mass357.18
IUPAC Name(4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one
SMILESC=C1C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@H](O[Si](C)(C)C)[C@@H]1C
InChIInChI=1S/C20H27NO3Si/c1-15-11-12-20(19(16(15)2)24-25(3,4)5)13-18(22)21(20)23-14-17-9-7-6-8-10-17/h6-12,16,19H,1,13-14H2,2-5H3/t16-,19-,20+/m1/s1
InChIKeyUJCCXMXOYVXSCR-AHRSYUTCSA-N
XLogP4.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
The IUPAC name of (4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one (CID 59843823) is (4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one.
What is the SMILES notation for (4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
The canonical SMILES for (4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one is C=C1C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@H](O[Si](C)(C)C)[C@@H]1C.
What is the InChIKey of (4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
The InChIKey is UJCCXMXOYVXSCR-AHRSYUTCSA-N. The full InChI is InChI=1S/C20H27NO3Si/c1-15-11-12-20(19(16(15)2)24-25(3,4)5)13-18(22)21(20)23-14-17-9-7-6-8-10-17/h6-12,16,19H,1,13-14H2,2-5H3/t16-,19-,20+/m1/s1.
What are the key properties of (4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
(4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one has a molecular weight of 357.53 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-6-methyl-7-methylidene-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one is sourced from PubChem (CID 59843823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).