methyl-bis(prop-1-ynoxy)borane

C7H9BO2 — CID 58280829

IUPACmethyl-bis(prop-1-ynoxy)borane
SMILESCC#COB(C)OC#CC
InChIInChI=1S/C7H9BO2/c1-4-6-9-8(3)10-7-5-2/h1-3H3
InChIKeyNXUPBUGECAILPL-UHFFFAOYSA-N
MW135.96 g/mol
LogP1.10
Rot. Bonds2

About methyl-bis(prop-1-ynoxy)borane

methyl-bis(prop-1-ynoxy)borane (PubChem CID 58280829) has the molecular formula C7H9BO2 and a molecular weight of 135.96 g/mol. Its IUPAC name is methyl-bis(prop-1-ynoxy)borane.

Molecular Properties

Compound Namemethyl-bis(prop-1-ynoxy)borane
PubChem CID58280829
Molecular FormulaC7H9BO2
Molecular Weight135.96 g/mol
Exact Mass136.07
IUPAC Namemethyl-bis(prop-1-ynoxy)borane
SMILESCC#COB(C)OC#CC
InChIInChI=1S/C7H9BO2/c1-4-6-9-8(3)10-7-5-2/h1-3H3
InChIKeyNXUPBUGECAILPL-UHFFFAOYSA-N
XLogP1.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.96
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-bis(prop-1-ynoxy)borane?
The IUPAC name of methyl-bis(prop-1-ynoxy)borane (CID 58280829) is methyl-bis(prop-1-ynoxy)borane.
What is the SMILES notation for methyl-bis(prop-1-ynoxy)borane?
The canonical SMILES for methyl-bis(prop-1-ynoxy)borane is CC#COB(C)OC#CC.
What is the InChIKey of methyl-bis(prop-1-ynoxy)borane?
The InChIKey is NXUPBUGECAILPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO2/c1-4-6-9-8(3)10-7-5-2/h1-3H3.
What are the key properties of methyl-bis(prop-1-ynoxy)borane?
methyl-bis(prop-1-ynoxy)borane has a molecular weight of 135.96 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(prop-1-ynoxy)borane is sourced from PubChem (CID 58280829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).