(4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one

C40H55NO4Si2 — CID 100993216

IUPAC(4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](C[C@H](C[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C40H55NO4Si2/c1-9-19-32(44-29-31-20-13-10-14-21-31)26-35(46(5,6)33-22-15-11-16-23-33)27-36(47(7,8)34-24-17-12-18-25-34)28-38(42)41-37(40(2,3)4)30-45-39(41)43/h9-18,20-25,32,35-37H,1,19,26-30H2,2-8H3/t32-,35+,36+,37+/m0/s1
InChIKeyMKFZVLAVABKGLA-OBSFXCBMSA-N
MW670.06 g/mol
LogP8.68
Rot. Bonds15

About (4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one

(4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one (PubChem CID 100993216) has the molecular formula C40H55NO4Si2 and a molecular weight of 670.06 g/mol. Its IUPAC name is (4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one
PubChem CID100993216
Molecular FormulaC40H55NO4Si2
Molecular Weight670.06 g/mol
Exact Mass669.37
IUPAC Name(4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](C[C@H](C[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C40H55NO4Si2/c1-9-19-32(44-29-31-20-13-10-14-21-31)26-35(46(5,6)33-22-15-11-16-23-33)27-36(47(7,8)34-24-17-12-18-25-34)28-38(42)41-37(40(2,3)4)30-45-39(41)43/h9-18,20-25,32,35-37H,1,19,26-30H2,2-8H3/t32-,35+,36+,37+/m0/s1
InChIKeyMKFZVLAVABKGLA-OBSFXCBMSA-N
XLogP8.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.06
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one
CID 100993211
(4S)-4-tert-butyl-3-[(3S)-3-methylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 102237784
phenyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyoct-7-enoate
CID 24997824
(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
CID 10988617
(4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one
CID 11365094
tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate
CID 58913347
tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]hex-5-enoate
CID 10981603
(4S)-3-[(2S)-2-methyl-2-(phenylmethoxymethyl)but-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101068861
(4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one
CID 10809871
tert-butyl (4S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-4-phenylhept-6-enoate
CID 66586464
(4R)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-phenylmethoxypent-4-enoyl]-1,3-oxazolidin-2-one
CID 11222755
(4R)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-prop-2-enyloctanoyl]-1,3-oxazolidin-2-one
CID 11175810

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one (CID 100993216) is (4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one is C=CC[C@@H](C[C@H](C[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1)OCc1ccccc1.
What is the InChIKey of (4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one?
The InChIKey is MKFZVLAVABKGLA-OBSFXCBMSA-N. The full InChI is InChI=1S/C40H55NO4Si2/c1-9-19-32(44-29-31-20-13-10-14-21-31)26-35(46(5,6)33-22-15-11-16-23-33)27-36(47(7,8)34-24-17-12-18-25-34)28-38(42)41-37(40(2,3)4)30-45-39(41)43/h9-18,20-25,32,35-37H,1,19,26-30H2,2-8H3/t32-,35+,36+,37+/m0/s1.
What are the key properties of (4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one?
(4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one has a molecular weight of 670.06 g/mol, XLogP of 8.68, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 100993216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).