MRAYNLYCQPAZJN-UHFFFAOYSA-N

C10H19BO3 — CID 53395424

IUPAC2-(2-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOC=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO3/c1-6-12-8-7-11-13-9(2,3)10(4,5)14-11/h7-8H,6H2,1-5H3
InChIKeyMRAYNLYCQPAZJN-UHFFFAOYSA-N
MW198.07 g/mol
LogP2.17
Rot. Bonds3

About MRAYNLYCQPAZJN-UHFFFAOYSA-N

MRAYNLYCQPAZJN-UHFFFAOYSA-N (PubChem CID 53395424) has the molecular formula C10H19BO3 and a molecular weight of 198.07 g/mol. Its IUPAC name is 2-(2-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound NameMRAYNLYCQPAZJN-UHFFFAOYSA-N
PubChem CID53395424
Molecular FormulaC10H19BO3
Molecular Weight198.07 g/mol
Exact Mass198.14
IUPAC Name2-(2-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOC=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO3/c1-6-12-8-7-11-13-9(2,3)10(4,5)14-11/h7-8H,6H2,1-5H3
InChIKeyMRAYNLYCQPAZJN-UHFFFAOYSA-N
XLogP2.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.07
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of MRAYNLYCQPAZJN-UHFFFAOYSA-N?
The IUPAC name of MRAYNLYCQPAZJN-UHFFFAOYSA-N (CID 53395424) is 2-(2-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for MRAYNLYCQPAZJN-UHFFFAOYSA-N?
The canonical SMILES for MRAYNLYCQPAZJN-UHFFFAOYSA-N is CCOC=CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of MRAYNLYCQPAZJN-UHFFFAOYSA-N?
The InChIKey is MRAYNLYCQPAZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO3/c1-6-12-8-7-11-13-9(2,3)10(4,5)14-11/h7-8H,6H2,1-5H3.
What are the key properties of MRAYNLYCQPAZJN-UHFFFAOYSA-N?
MRAYNLYCQPAZJN-UHFFFAOYSA-N has a molecular weight of 198.07 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for MRAYNLYCQPAZJN-UHFFFAOYSA-N is sourced from PubChem (CID 53395424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).