[tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate

C18H35NO4Si — CID 11725893

IUPAC[tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
SMILESC=CC(C)C(CNC(=O)OC(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO4Si/c1-11-13(2)14(12-19-16(21)22-17(3,4)5)15(20)23-24(9,10)18(6,7)8/h11,13-14H,1,12H2,2-10H3,(H,19,21)
InChIKeyYTKOMAQTAKBOFP-UHFFFAOYSA-N
MW357.57 g/mol
LogP4.50
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate

[tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate (PubChem CID 11725893) has the molecular formula C18H35NO4Si and a molecular weight of 357.57 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
PubChem CID11725893
Molecular FormulaC18H35NO4Si
Molecular Weight357.57 g/mol
Exact Mass357.23
IUPAC Name[tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
SMILESC=CC(C)C(CNC(=O)OC(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO4Si/c1-11-13(2)14(12-19-16(21)22-17(3,4)5)15(20)23-24(9,10)18(6,7)8/h11,13-14H,1,12H2,2-10H3,(H,19,21)
InChIKeyYTKOMAQTAKBOFP-UHFFFAOYSA-N
XLogP4.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
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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Related Compounds

trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 10245191
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 156749640
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880873
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880863
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate
CID 153328579
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[(3R,4S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-methylhept-6-en-3-yl]carbamate
CID 140693338
tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442753
(2R)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoate
CID 51777226
tert-butyl N-[2-[bromo(difluoro)methyl]but-3-enyl]carbamate
CID 156778586
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate (CID 11725893) is [tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate is C=CC(C)C(CNC(=O)OC(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate?
The InChIKey is YTKOMAQTAKBOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4Si/c1-11-13(2)14(12-19-16(21)22-17(3,4)5)15(20)23-24(9,10)18(6,7)8/h11,13-14H,1,12H2,2-10H3,(H,19,21).
What are the key properties of [tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate?
[tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate has a molecular weight of 357.57 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate is sourced from PubChem (CID 11725893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).