[butoxy(ethoxy)boranyl] 2-methylprop-2-enoate

C10H19BO4 — CID 152671881

IUPAC[butoxy(ethoxy)boranyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OB(OCC)OCCCC
InChIInChI=1S/C10H19BO4/c1-5-7-8-14-11(13-6-2)15-10(12)9(3)4/h3,5-8H2,1-2,4H3
InChIKeyZLSGSQAPZWUJDV-UHFFFAOYSA-N
MW214.07 g/mol
LogP1.94
Rot. Bonds8

About [butoxy(ethoxy)boranyl] 2-methylprop-2-enoate

[butoxy(ethoxy)boranyl] 2-methylprop-2-enoate (PubChem CID 152671881) has the molecular formula C10H19BO4 and a molecular weight of 214.07 g/mol. Its IUPAC name is [butoxy(ethoxy)boranyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[butoxy(ethoxy)boranyl] 2-methylprop-2-enoate
PubChem CID152671881
Molecular FormulaC10H19BO4
Molecular Weight214.07 g/mol
Exact Mass214.14
IUPAC Name[butoxy(ethoxy)boranyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OB(OCC)OCCCC
InChIInChI=1S/C10H19BO4/c1-5-7-8-14-11(13-6-2)15-10(12)9(3)4/h3,5-8H2,1-2,4H3
InChIKeyZLSGSQAPZWUJDV-UHFFFAOYSA-N
XLogP1.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396
[butoxy-bis(2-methylprop-2-enoyloxy)silyl] 2-methylprop-2-enoate
CID 88695289
butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate
CID 175326271
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
butylamino 2-methylprop-2-enoate;silver
CID 175085641
1-butoxyethenyl 2-methylprop-2-enoate
CID 139616041
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
CID 88636576

Frequently Asked Questions

What is the IUPAC name of [butoxy(ethoxy)boranyl] 2-methylprop-2-enoate?
The IUPAC name of [butoxy(ethoxy)boranyl] 2-methylprop-2-enoate (CID 152671881) is [butoxy(ethoxy)boranyl] 2-methylprop-2-enoate.
What is the SMILES notation for [butoxy(ethoxy)boranyl] 2-methylprop-2-enoate?
The canonical SMILES for [butoxy(ethoxy)boranyl] 2-methylprop-2-enoate is C=C(C)C(=O)OB(OCC)OCCCC.
What is the InChIKey of [butoxy(ethoxy)boranyl] 2-methylprop-2-enoate?
The InChIKey is ZLSGSQAPZWUJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO4/c1-5-7-8-14-11(13-6-2)15-10(12)9(3)4/h3,5-8H2,1-2,4H3.
What are the key properties of [butoxy(ethoxy)boranyl] 2-methylprop-2-enoate?
[butoxy(ethoxy)boranyl] 2-methylprop-2-enoate has a molecular weight of 214.07 g/mol, XLogP of 1.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy(ethoxy)boranyl] 2-methylprop-2-enoate is sourced from PubChem (CID 152671881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).