methoxy(dipentyl)borane

C11H25BO — CID 12705652

IUPACmethoxy(dipentyl)borane
SMILESCCCCCB(CCCCC)OC
InChIInChI=1S/C11H25BO/c1-4-6-8-10-12(13-3)11-9-7-5-2/h4-11H2,1-3H3
InChIKeyRJTZVPJMAWUDGR-UHFFFAOYSA-N
MW184.13 g/mol
LogP4.00
Rot. Bonds9

About methoxy(dipentyl)borane

methoxy(dipentyl)borane (PubChem CID 12705652) has the molecular formula C11H25BO and a molecular weight of 184.13 g/mol. Its IUPAC name is methoxy(dipentyl)borane.

Molecular Properties

Compound Namemethoxy(dipentyl)borane
PubChem CID12705652
Molecular FormulaC11H25BO
Molecular Weight184.13 g/mol
Exact Mass184.20
IUPAC Namemethoxy(dipentyl)borane
SMILESCCCCCB(CCCCC)OC
InChIInChI=1S/C11H25BO/c1-4-6-8-10-12(13-3)11-9-7-5-2/h4-11H2,1-3H3
InChIKeyRJTZVPJMAWUDGR-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methoxymethane;undecane
CID 174775722
tri(nonyl)borane
CID 12793706
decane;ruthenium
CID 160818595
diethyl(methoxy)borane
CID 522516
bromo(dipentyl)borane
CID 12703134
heptyl(dimethyl)borane
CID 123843147
hexane;oxomercury
CID 174814256
methoxymethane;pentane
CID 87151149
dibutyl-[(2-methylpropan-2-yl)oxy]borane
CID 15908787
octadecylboronic acid
CID 521161
tetradecylboronic acid
CID 3528229
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of methoxy(dipentyl)borane?
The IUPAC name of methoxy(dipentyl)borane (CID 12705652) is methoxy(dipentyl)borane.
What is the SMILES notation for methoxy(dipentyl)borane?
The canonical SMILES for methoxy(dipentyl)borane is CCCCCB(CCCCC)OC.
What is the InChIKey of methoxy(dipentyl)borane?
The InChIKey is RJTZVPJMAWUDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25BO/c1-4-6-8-10-12(13-3)11-9-7-5-2/h4-11H2,1-3H3.
What are the key properties of methoxy(dipentyl)borane?
methoxy(dipentyl)borane has a molecular weight of 184.13 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(dipentyl)borane is sourced from PubChem (CID 12705652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).