2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate

C17H35NO3Si — CID 174167216

IUPAC2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate
SMILESCCCN(CCC)[C@@H](CCC(=O)OCC[Si](C)(C)C)C(C)=O
InChIInChI=1S/C17H35NO3Si/c1-7-11-18(12-8-2)16(15(3)19)9-10-17(20)21-13-14-22(4,5)6/h16H,7-14H2,1-6H3/t16-/m0/s1
InChIKeyQXMDDGDHPLBINL-INIZCTEOSA-N
MW329.56 g/mol
LogP3.73
Rot. Bonds12

About 2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate

2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate (PubChem CID 174167216) has the molecular formula C17H35NO3Si and a molecular weight of 329.56 g/mol. Its IUPAC name is 2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate
PubChem CID174167216
Molecular FormulaC17H35NO3Si
Molecular Weight329.56 g/mol
Exact Mass329.24
IUPAC Name2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate
SMILESCCCN(CCC)[C@@H](CCC(=O)OCC[Si](C)(C)C)C(C)=O
InChIInChI=1S/C17H35NO3Si/c1-7-11-18(12-8-2)16(15(3)19)9-10-17(20)21-13-14-22(4,5)6/h16H,7-14H2,1-6H3/t16-/m0/s1
InChIKeyQXMDDGDHPLBINL-INIZCTEOSA-N
XLogP3.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl heptanoate
CID 141105261
2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid
CID 162422079
2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate
CID 174894859
2-trimethylsilylethyl 5-oxopentanoate
CID 11127685
dipropyl (2R)-2-hydroxypentanedioate
CID 101034397
dipropyl 2-hydroxypentanedioate
CID 141161532
heptyl 4-amino-5-oxohexanoate
CID 145221030
methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate
CID 18914281
(3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
CID 86665259
2-(dipropylamino)-4-methoxybutanoic acid
CID 79694443
bis[6-(2-hexyldecanoyloxy)hexyl] 2-[bis(3-methylperoxy-3-oxopropyl)amino]pentanedioate
CID 176739734
2-trimethylsilylethyl 3,10-dioxoundecanoate
CID 102409566

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate?
The IUPAC name of 2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate (CID 174167216) is 2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate.
What is the SMILES notation for 2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate?
The canonical SMILES for 2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate is CCCN(CCC)[C@@H](CCC(=O)OCC[Si](C)(C)C)C(C)=O.
What is the InChIKey of 2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate?
The InChIKey is QXMDDGDHPLBINL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H35NO3Si/c1-7-11-18(12-8-2)16(15(3)19)9-10-17(20)21-13-14-22(4,5)6/h16H,7-14H2,1-6H3/t16-/m0/s1.
What are the key properties of 2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate?
2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate has a molecular weight of 329.56 g/mol, XLogP of 3.73, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (4S)-4-(dipropylamino)-5-oxohexanoate is sourced from PubChem (CID 174167216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).