3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane

C10H19BO3 — CID 11735748

IUPAC3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane
SMILESCOCC#CB(OC(C)C)OC(C)C
InChIInChI=1S/C10H19BO3/c1-9(2)13-11(14-10(3)4)7-6-8-12-5/h9-10H,8H2,1-5H3
InChIKeySWPUAAPKCARBIP-UHFFFAOYSA-N
MW198.07 g/mol
LogP1.51
Rot. Bonds5

About 3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane

3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane (PubChem CID 11735748) has the molecular formula C10H19BO3 and a molecular weight of 198.07 g/mol. Its IUPAC name is 3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane.

Molecular Properties

Compound Name3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane
PubChem CID11735748
Molecular FormulaC10H19BO3
Molecular Weight198.07 g/mol
Exact Mass198.14
IUPAC Name3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane
SMILESCOCC#CB(OC(C)C)OC(C)C
InChIInChI=1S/C10H19BO3/c1-9(2)13-11(14-10(3)4)7-6-8-12-5/h9-10H,8H2,1-5H3
InChIKeySWPUAAPKCARBIP-UHFFFAOYSA-N
XLogP1.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.07
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-propan-2-yloxypent-2-yne
CID 11123097
1,1,4-trimethoxybut-2-yne
CID 13070325
1-bromo-4-methoxybut-2-yne
CID 14293557
3-methoxy-1-methylselanylprop-1-yne
CID 11041029
but-1-ynyl(dimethoxy)borane
CID 154165029
1,4-di(propan-2-yloxy)but-2-yne
CID 59470661
8-methoxyocta-1,6-diyne
CID 13448199
ethane;methoxyethane;2-methylpropane
CID 144654475
tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane
CID 100936531
(3S)-4-methoxy-3-methylbutanenitrile
CID 87592746
19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne
CID 122578573
triethyl(3-methoxyprop-1-ynyl)boranuide
CID 134890673

Frequently Asked Questions

What is the IUPAC name of 3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane?
The IUPAC name of 3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane (CID 11735748) is 3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane.
What is the SMILES notation for 3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane?
The canonical SMILES for 3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane is COCC#CB(OC(C)C)OC(C)C.
What is the InChIKey of 3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane?
The InChIKey is SWPUAAPKCARBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO3/c1-9(2)13-11(14-10(3)4)7-6-8-12-5/h9-10H,8H2,1-5H3.
What are the key properties of 3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane?
3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane has a molecular weight of 198.07 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyprop-1-ynyl-di(propan-2-yloxy)borane is sourced from PubChem (CID 11735748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).