diethyl(methoxy)borane;oxolane

C9H21BO2 — CID 158668575

IUPACdiethyl(methoxy)borane;oxolane
SMILESC1CCOC1.CCB(CC)OC
InChIInChI=1S/C5H13BO.C4H8O/c1-4-6(5-2)7-3;1-2-4-5-3-1/h4-5H2,1-3H3;1-4H2
InChIKeyIDQZAGGAUDZTLO-UHFFFAOYSA-N
MW172.08 g/mol
LogP2.46
Rot. Bonds3

About diethyl(methoxy)borane;oxolane

diethyl(methoxy)borane;oxolane (PubChem CID 158668575) has the molecular formula C9H21BO2 and a molecular weight of 172.08 g/mol. Its IUPAC name is diethyl(methoxy)borane;oxolane.

Molecular Properties

Compound Namediethyl(methoxy)borane;oxolane
PubChem CID158668575
Molecular FormulaC9H21BO2
Molecular Weight172.08 g/mol
Exact Mass172.16
IUPAC Namediethyl(methoxy)borane;oxolane
SMILESC1CCOC1.CCB(CC)OC
InChIInChI=1S/C5H13BO.C4H8O/c1-4-6(5-2)7-3;1-2-4-5-3-1/h4-5H2,1-3H3;1-4H2
InChIKeyIDQZAGGAUDZTLO-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.08
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-n-Butoxyboracyclopentane
CID 129803664
Diethoxy(oxolan-3-yl)borane
CID 13585639
Boronic acid, ((3R)-tetrahydro-3-furanyl)-, diethyl ester
CID 13585640
diethoxy-[(3S)-oxolan-3-yl]borane
CID 13585641
Ethoxy-(oxolan-3-yl)-pent-1-ynylborane
CID 86227142
Dibutyl 2-butoxyethaneboronate
CID 129807534
Butyl (2-butoxyethyl)ethylborinate
CID 129807705
Lithium diethoxy-(oxolan-3-yl)-pent-1-ynylboranuide
CID 134890694
CID 135048591
CID 135048591
Oxolane;trimethyl borate
CID 11435244
Triethylborane tetrahydrofuran
CID 12979806
CID 14660486
CID 14660486

Frequently Asked Questions

What is the IUPAC name of diethyl(methoxy)borane;oxolane?
The IUPAC name of diethyl(methoxy)borane;oxolane (CID 158668575) is diethyl(methoxy)borane;oxolane.
What is the SMILES notation for diethyl(methoxy)borane;oxolane?
The canonical SMILES for diethyl(methoxy)borane;oxolane is C1CCOC1.CCB(CC)OC.
What is the InChIKey of diethyl(methoxy)borane;oxolane?
The InChIKey is IDQZAGGAUDZTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BO.C4H8O/c1-4-6(5-2)7-3;1-2-4-5-3-1/h4-5H2,1-3H3;1-4H2.
What are the key properties of diethyl(methoxy)borane;oxolane?
diethyl(methoxy)borane;oxolane has a molecular weight of 172.08 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(methoxy)borane;oxolane is sourced from PubChem (CID 158668575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).