[acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate

C19H35NO5Si — CID 88654942

IUPAC[acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate
SMILESC=C(C)C(=O)NCCC[Si](CCCCCCCC)(OC(C)=O)OC(C)=O
InChIInChI=1S/C19H35NO5Si/c1-6-7-8-9-10-11-14-26(24-17(4)21,25-18(5)22)15-12-13-20-19(23)16(2)3/h2,6-15H2,1,3-5H3,(H,20,23)
InChIKeyIZAYWZQUZRMFIX-UHFFFAOYSA-N
MW385.58 g/mol
LogP4.00
Rot. Bonds14

About [acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate

[acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate (PubChem CID 88654942) has the molecular formula C19H35NO5Si and a molecular weight of 385.58 g/mol. Its IUPAC name is [acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate.

Molecular Properties

Compound Name[acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate
PubChem CID88654942
Molecular FormulaC19H35NO5Si
Molecular Weight385.58 g/mol
Exact Mass385.23
IUPAC Name[acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate
SMILESC=C(C)C(=O)NCCC[Si](CCCCCCCC)(OC(C)=O)OC(C)=O
InChIInChI=1S/C19H35NO5Si/c1-6-7-8-9-10-11-14-26(24-17(4)21,25-18(5)22)15-12-13-20-19(23)16(2)3/h2,6-15H2,1,3-5H3,(H,20,23)
InChIKeyIZAYWZQUZRMFIX-UHFFFAOYSA-N
XLogP4.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-icosyl-2-methylprop-2-enamide
CID 22336363
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
N-[2-[dodecyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 88943735
N-[8-[diethoxy(methyl)silyl]octyl]-2-methylprop-2-enamide
CID 169083674
2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide
CID 58330356
dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-octylazanium
CID 87318996
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
[dibutyl(2-methylprop-2-enoyloxy)silyl] 2-methylprop-2-enoate
CID 153439669
N-[8-[hydroxy(dimethyl)silyl]octyl]-2-methylprop-2-enamide
CID 162481107

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate?
The IUPAC name of [acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate (CID 88654942) is [acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate.
What is the SMILES notation for [acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate?
The canonical SMILES for [acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate is C=C(C)C(=O)NCCC[Si](CCCCCCCC)(OC(C)=O)OC(C)=O.
What is the InChIKey of [acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate?
The InChIKey is IZAYWZQUZRMFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO5Si/c1-6-7-8-9-10-11-14-26(24-17(4)21,25-18(5)22)15-12-13-20-19(23)16(2)3/h2,6-15H2,1,3-5H3,(H,20,23).
What are the key properties of [acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate?
[acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate has a molecular weight of 385.58 g/mol, XLogP of 4.00, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate is sourced from PubChem (CID 88654942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).