5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate

C10H21NO4Si — CID 174865681

IUPAC5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCO[Si](C)(N)OC
InChIInChI=1S/C10H21NO4Si/c1-5-10(12)15-9(2)7-6-8-14-16(4,11)13-3/h5,9H,1,6-8,11H2,2-4H3
InChIKeyIHCWKXAPYBELMC-UHFFFAOYSA-N
MW247.37 g/mol
LogP1.07
Rot. Bonds8

About 5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate

5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate (PubChem CID 174865681) has the molecular formula C10H21NO4Si and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate.

Molecular Properties

Compound Name5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate
PubChem CID174865681
Molecular FormulaC10H21NO4Si
Molecular Weight247.37 g/mol
Exact Mass247.12
IUPAC Name5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCO[Si](C)(N)OC
InChIInChI=1S/C10H21NO4Si/c1-5-10(12)15-9(2)7-6-8-14-16(4,11)13-3/h5,9H,1,6-8,11H2,2-4H3
InChIKeyIHCWKXAPYBELMC-UHFFFAOYSA-N
XLogP1.07
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 51.07
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

6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate
CID 141250825
5-methylhexan-2-yl prop-2-enoate
CID 151222941
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
5-hydrazinylpentan-2-yl prop-2-enoate
CID 139644736
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316

Frequently Asked Questions

What is the IUPAC name of 5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate?
The IUPAC name of 5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate (CID 174865681) is 5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate.
What is the SMILES notation for 5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate?
The canonical SMILES for 5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCO[Si](C)(N)OC.
What is the InChIKey of 5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate?
The InChIKey is IHCWKXAPYBELMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4Si/c1-5-10(12)15-9(2)7-6-8-14-16(4,11)13-3/h5,9H,1,6-8,11H2,2-4H3.
What are the key properties of 5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate?
5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate has a molecular weight of 247.37 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate is sourced from PubChem (CID 174865681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).