(5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one

C22H29NO5Si — CID 11811764

IUPAC(5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one
SMILESCC1(C)OC[C@H]([C@@H]2CC=C[C@@H](O[Si](C)(C)C)[C@]23N=C(c2ccccc2)OC3=O)O1
InChIInChI=1S/C22H29NO5Si/c1-21(2)25-14-17(27-21)16-12-9-13-18(28-29(3,4)5)22(16)20(24)26-19(23-22)15-10-7-6-8-11-15/h6-11,13,16-18H,12,14H2,1-5H3/t16-,17+,18+,22+/m0/s1
InChIKeyGKINRXQTGOOHCU-KCXPTXFHSA-N
MW415.56 g/mol
LogP3.68
Rot. Bonds4

About (5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one

(5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one (PubChem CID 11811764) has the molecular formula C22H29NO5Si and a molecular weight of 415.56 g/mol. Its IUPAC name is (5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one.

Molecular Properties

Compound Name(5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one
PubChem CID11811764
Molecular FormulaC22H29NO5Si
Molecular Weight415.56 g/mol
Exact Mass415.18
IUPAC Name(5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one
SMILESCC1(C)OC[C@H]([C@@H]2CC=C[C@@H](O[Si](C)(C)C)[C@]23N=C(c2ccccc2)OC3=O)O1
InChIInChI=1S/C22H29NO5Si/c1-21(2)25-14-17(27-21)16-12-9-13-18(28-29(3,4)5)22(16)20(24)26-19(23-22)15-10-7-6-8-11-15/h6-11,13,16-18H,12,14H2,1-5H3/t16-,17+,18+,22+/m0/s1
InChIKeyGKINRXQTGOOHCU-KCXPTXFHSA-N
XLogP3.68
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one?
The IUPAC name of (5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one (CID 11811764) is (5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one.
What is the SMILES notation for (5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one?
The canonical SMILES for (5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one is CC1(C)OC[C@H]([C@@H]2CC=C[C@@H](O[Si](C)(C)C)[C@]23N=C(c2ccccc2)OC3=O)O1.
What is the InChIKey of (5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one?
The InChIKey is GKINRXQTGOOHCU-KCXPTXFHSA-N. The full InChI is InChI=1S/C22H29NO5Si/c1-21(2)25-14-17(27-21)16-12-9-13-18(28-29(3,4)5)22(16)20(24)26-19(23-22)15-10-7-6-8-11-15/h6-11,13,16-18H,12,14H2,1-5H3/t16-,17+,18+,22+/m0/s1.
What are the key properties of (5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one?
(5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one has a molecular weight of 415.56 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-trimethylsilyloxy-3-oxa-1-azaspiro[4.5]deca-1,7-dien-4-one is sourced from PubChem (CID 11811764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).