N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide

C15H31NO2Si — CID 73178317

IUPACN-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide
SMILESCC=CC(O[Si](C)(C)C(C)(C)C)C(=O)NCCCC
InChIInChI=1S/C15H31NO2Si/c1-8-10-12-16-14(17)13(11-9-2)18-19(6,7)15(3,4)5/h9,11,13H,8,10,12H2,1-7H3,(H,16,17)
InChIKeyZEXCVRMBPKERLB-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.87
Rot. Bonds7

About N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide

N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide (PubChem CID 73178317) has the molecular formula C15H31NO2Si and a molecular weight of 285.50 g/mol. Its IUPAC name is N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide.

Molecular Properties

Compound NameN-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide
PubChem CID73178317
Molecular FormulaC15H31NO2Si
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC NameN-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide
SMILESCC=CC(O[Si](C)(C)C(C)(C)C)C(=O)NCCCC
InChIInChI=1S/C15H31NO2Si/c1-8-10-12-16-14(17)13(11-9-2)18-19(6,7)15(3,4)5/h9,11,13H,8,10,12H2,1-7H3,(H,16,17)
InChIKeyZEXCVRMBPKERLB-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
(2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide
CID 10667035
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-cyanophenyl)acetamide
CID 12968555
(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
CID 10334877
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine
CID 175848206
(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal
CID 71343055
methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide?
The IUPAC name of N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide (CID 73178317) is N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide.
What is the SMILES notation for N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide?
The canonical SMILES for N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide is CC=CC(O[Si](C)(C)C(C)(C)C)C(=O)NCCCC.
What is the InChIKey of N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide?
The InChIKey is ZEXCVRMBPKERLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2Si/c1-8-10-12-16-14(17)13(11-9-2)18-19(6,7)15(3,4)5/h9,11,13H,8,10,12H2,1-7H3,(H,16,17).
What are the key properties of N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide?
N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide has a molecular weight of 285.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide is sourced from PubChem (CID 73178317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).