trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate

C15H29NO4Si — CID 10245191

IUPACtrimethylsilyl 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
InChIInChI=1S/C15H29NO4Si/c1-9-11(2)12(13(17)20-21(6,7)8)10-16-14(18)19-15(3,4)5/h9,11-12H,1,10H2,2-8H3,(H,16,18)
InChIKeyCKNPSIUBKQTCQM-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.33
Rot. Bonds6

About trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate

trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate (PubChem CID 10245191) has the molecular formula C15H29NO4Si and a molecular weight of 315.49 g/mol. Its IUPAC name is trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate.

Molecular Properties

Compound Nametrimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
PubChem CID10245191
Molecular FormulaC15H29NO4Si
Molecular Weight315.49 g/mol
Exact Mass315.19
IUPAC Nametrimethylsilyl 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
InChIInChI=1S/C15H29NO4Si/c1-9-11(2)12(13(17)20-21(6,7)8)10-16-14(18)19-15(3,4)5/h9,11-12H,1,10H2,2-8H3,(H,16,18)
InChIKeyCKNPSIUBKQTCQM-UHFFFAOYSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.33
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

[tert-butyl(dimethyl)silyl] 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 11725893
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
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 (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 158817898
tert-butyl N-[2-[bromo(difluoro)methyl]but-3-enyl]carbamate
CID 156778586
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-(2-methyl-3-oxopropyl)carbamate
CID 19791000
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate
CID 170234011
methyl (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 130664858

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate?
The IUPAC name of trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate (CID 10245191) is trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate.
What is the SMILES notation for trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate?
The canonical SMILES for trimethylsilyl 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.
What is the InChIKey of trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate?
The InChIKey is CKNPSIUBKQTCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4Si/c1-9-11(2)12(13(17)20-21(6,7)8)10-16-14(18)19-15(3,4)5/h9,11-12H,1,10H2,2-8H3,(H,16,18).
What are the key properties of trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate?
trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate has a molecular weight of 315.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate is sourced from PubChem (CID 10245191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).