5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide

C23H43NO2Si — CID 72594676

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide
SMILESCC(C)(C)[Si](C)(C)OCCC=CC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H43NO2Si/c1-23(2,3)27(4,5)26-19-13-12-18-22(25)24(20-14-8-6-9-15-20)21-16-10-7-11-17-21/h12,18,20-21H,6-11,13-17,19H2,1-5H3
InChIKeyWWSYVNNWIVZHAO-UHFFFAOYSA-N
MW393.69 g/mol
LogP6.45
Rot. Bonds7

About 5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide

5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide (PubChem CID 72594676) has the molecular formula C23H43NO2Si and a molecular weight of 393.69 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide
PubChem CID72594676
Molecular FormulaC23H43NO2Si
Molecular Weight393.69 g/mol
Exact Mass393.31
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide
SMILESCC(C)(C)[Si](C)(C)OCCC=CC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H43NO2Si/c1-23(2,3)27(4,5)26-19-13-12-18-22(25)24(20-14-8-6-9-15-20)21-16-10-7-11-17-21/h12,18,20-21H,6-11,13-17,19H2,1-5H3
InChIKeyWWSYVNNWIVZHAO-UHFFFAOYSA-N
XLogP6.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.69
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
5-[tert-butyl(dimethyl)silyl]oxypent-2-enamide
CID 72594662
(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-(1-hydroxycyclohexyl)pent-2-en-1-one
CID 101268207
(E)-N-cyclohexyl-N-ethylhex-2-enamide
CID 26794549
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
tert-butyl-[(Z)-4-[tert-butyl(dimethyl)silyl]but-3-enoxy]-dimethylsilane
CID 11702169
N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide
CID 71713804
2-[tert-butyl(dimethyl)silyl]oxyethyl-pyrrolidin-3-ylcarbamic acid
CID 67183803
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
tert-butyl-(cyclohexyloxymethoxy)-dimethylsilane
CID 139783422
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide (CID 72594676) is 5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide is CC(C)(C)[Si](C)(C)OCCC=CC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide?
The InChIKey is WWSYVNNWIVZHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO2Si/c1-23(2,3)27(4,5)26-19-13-12-18-22(25)24(20-14-8-6-9-15-20)21-16-10-7-11-17-21/h12,18,20-21H,6-11,13-17,19H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide?
5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide has a molecular weight of 393.69 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-N,N-dicyclohexylpent-2-enamide is sourced from PubChem (CID 72594676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).