(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one

C25H32INO3Si — CID 135027128

IUPAC(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one
SMILESC/C(I)=C\[C@@H](C)[C@H]1OC(=O)N[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32INO3Si/c1-18(16-19(2)26)23-22(27-24(28)30-23)17-29-31(25(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,18,22-23H,17H2,1-5H3,(H,27,28)/b19-16+/t18-,22+,23-/m1/s1
InChIKeyQYMWZKFBPZSRMT-CWMWVBSKSA-N
MW549.53 g/mol
LogP5.01
Rot. Bonds7

About (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one

(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one (PubChem CID 135027128) has the molecular formula C25H32INO3Si and a molecular weight of 549.53 g/mol. Its IUPAC name is (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one
PubChem CID135027128
Molecular FormulaC25H32INO3Si
Molecular Weight549.53 g/mol
Exact Mass549.12
IUPAC Name(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one
SMILESC/C(I)=C\[C@@H](C)[C@H]1OC(=O)N[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32INO3Si/c1-18(16-19(2)26)23-22(27-24(28)30-23)17-29-31(25(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,18,22-23H,17H2,1-5H3,(H,27,28)/b19-16+/t18-,22+,23-/m1/s1
InChIKeyQYMWZKFBPZSRMT-CWMWVBSKSA-N
XLogP5.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.53
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)pentan-2-yl]carbamate
CID 12111289
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-3-methylbutan-2-yl]carbamate
CID 12111347
(S,E)-tert-Butyl 8-(tert-butyldiphenylsilyloxy)-2-methyloct-5-en-4-ylcarbamate
CID 58345823
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
tert-butyl N-[(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450325
tert-butyl N-[(3R,4S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450326
tert-butyl N-[(3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450327
(4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one
CID 134950136
tert-butyl N-[(2S,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methylhept-5-yn-2-yl]carbamate
CID 135026916
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E)-pentadec-1-enyl]-1,3-oxazolidin-2-one
CID 14776015
tert-butyl N-[(2R)-4-[tert-butyl(diphenyl)silyl]oxy-1-iodobutan-2-yl]carbamate
CID 57594180

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one (CID 135027128) is (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one is C/C(I)=C\[C@@H](C)[C@H]1OC(=O)N[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is QYMWZKFBPZSRMT-CWMWVBSKSA-N. The full InChI is InChI=1S/C25H32INO3Si/c1-18(16-19(2)26)23-22(27-24(28)30-23)17-29-31(25(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,18,22-23H,17H2,1-5H3,(H,27,28)/b19-16+/t18-,22+,23-/m1/s1.
What are the key properties of (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one?
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 549.53 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135027128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).