(5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one

C40H45NO5Si — CID 10794287

IUPAC(5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESC[Si](C)(c1ccccc1)[C@@H](CCC1OCCO1)CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H45NO5Si/c1-47(2,35-21-13-6-14-22-35)36(24-26-39-44-27-28-45-39)29-38(43)41-34(23-25-37(41)42)30-46-40(31-15-7-3-8-16-31,32-17-9-4-10-18-32)33-19-11-5-12-20-33/h3-22,34,36,39H,23-30H2,1-2H3/t34-,36-/m0/s1
InChIKeyYXVAASQHCWEFHU-GIWKVKTRSA-N
MW647.89 g/mol
LogP7.04
Rot. Bonds13

About (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one

(5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 10794287) has the molecular formula C40H45NO5Si and a molecular weight of 647.89 g/mol. Its IUPAC name is (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID10794287
Molecular FormulaC40H45NO5Si
Molecular Weight647.89 g/mol
Exact Mass647.31
IUPAC Name(5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
SMILESC[Si](C)(c1ccccc1)[C@@H](CCC1OCCO1)CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H45NO5Si/c1-47(2,35-21-13-6-14-22-35)36(24-26-39-44-27-28-45-39)29-38(43)41-34(23-25-37(41)42)30-46-40(31-15-7-3-8-16-31,32-17-9-4-10-18-32)33-19-11-5-12-20-33/h3-22,34,36,39H,23-30H2,1-2H3/t34-,36-/m0/s1
InChIKeyYXVAASQHCWEFHU-GIWKVKTRSA-N
XLogP7.04
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.89
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10918621
(1S,5R,6R,7R,8S)-1-[dimethyl(phenyl)silyl]-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 57325792
(4S)-3-[(3R,3aS,4R,5S)-2,2-ditert-butyl-3,4-dimethyl-7-phenyl-3a,4,5,6-tetrahydro-3H-1,2-benzoxasilole-5-carbonyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;ethoxyethane
CID 139092221
(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 24983464
(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 24983466
(5S)-1-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 9985307
(5S)-1-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10325147
(5S)-1-[(E)-3-trimethylsilylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10413035
benzyl (E,2R,3S)-3-[dimethyl(phenyl)silyl]-2-methyl-8-oxo-8-[(5S)-2-oxo-5-(trityloxymethyl)pyrrolidin-1-yl]oct-6-enoate
CID 10580911
(5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10625185
benzyl (2R,3S,6S)-3,6-bis[dimethyl(phenyl)silyl]-2-methyl-8-oxo-8-[(5S)-2-oxo-5-(trityloxymethyl)pyrrolidin-1-yl]octanoate
CID 10653263
(5S)-1-[(E,3R)-3-[dimethyl(phenyl)silyl]hexadec-4-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10723614

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one (CID 10794287) is (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one is C[Si](C)(c1ccccc1)[C@@H](CCC1OCCO1)CC(=O)N1C(=O)CC[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is YXVAASQHCWEFHU-GIWKVKTRSA-N. The full InChI is InChI=1S/C40H45NO5Si/c1-47(2,35-21-13-6-14-22-35)36(24-26-39-44-27-28-45-39)29-38(43)41-34(23-25-37(41)42)30-46-40(31-15-7-3-8-16-31,32-17-9-4-10-18-32)33-19-11-5-12-20-33/h3-22,34,36,39H,23-30H2,1-2H3/t34-,36-/m0/s1.
What are the key properties of (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one?
(5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 647.89 g/mol, XLogP of 7.04, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(3S)-3-[dimethyl(phenyl)silyl]-5-(1,3-dioxolan-2-yl)pentanoyl]-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10794287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).