methyl(dipentoxy)borane

C11H25BO2 — CID 141214571

IUPACmethyl(dipentoxy)borane
SMILESCCCCCOB(C)OCCCCC
InChIInChI=1S/C11H25BO2/c1-4-6-8-10-13-12(3)14-11-9-7-5-2/h4-11H2,1-3H3
InChIKeyFHCGMDPREFBFEH-UHFFFAOYSA-N
MW200.13 g/mol
LogP3.52
Rot. Bonds10

About methyl(dipentoxy)borane

methyl(dipentoxy)borane (PubChem CID 141214571) has the molecular formula C11H25BO2 and a molecular weight of 200.13 g/mol. Its IUPAC name is methyl(dipentoxy)borane.

Molecular Properties

Compound Namemethyl(dipentoxy)borane
PubChem CID141214571
Molecular FormulaC11H25BO2
Molecular Weight200.13 g/mol
Exact Mass200.19
IUPAC Namemethyl(dipentoxy)borane
SMILESCCCCCOB(C)OCCCCC
InChIInChI=1S/C11H25BO2/c1-4-6-8-10-13-12(3)14-11-9-7-5-2/h4-11H2,1-3H3
InChIKeyFHCGMDPREFBFEH-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Tributyl borate
CID 12712
Tripentyl borate
CID 12134
Tributyl borate-10B
CID 16212785
Butyl dibutylborinate
CID 11830386
Dibutyl 1-butaneboronate
CID 12420349
Diethylborinic acid hexyl ester
CID 12421676
Hexyl dipropylborinate
CID 12421677
Hexyl dibutylborinate
CID 12421678
Ethaneboronic acid dibutyl ester
CID 12421680
Dihexyl 1-propaneboronate
CID 12421681
Butyl diethylborinate
CID 12434719
Butoxydipropylborane
CID 13227163

Frequently Asked Questions

What is the IUPAC name of methyl(dipentoxy)borane?
The IUPAC name of methyl(dipentoxy)borane (CID 141214571) is methyl(dipentoxy)borane.
What is the SMILES notation for methyl(dipentoxy)borane?
The canonical SMILES for methyl(dipentoxy)borane is CCCCCOB(C)OCCCCC.
What is the InChIKey of methyl(dipentoxy)borane?
The InChIKey is FHCGMDPREFBFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25BO2/c1-4-6-8-10-13-12(3)14-11-9-7-5-2/h4-11H2,1-3H3.
What are the key properties of methyl(dipentoxy)borane?
methyl(dipentoxy)borane has a molecular weight of 200.13 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(dipentoxy)borane is sourced from PubChem (CID 141214571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).