ethyl-methyl-(3-methylpentyl)borane

C9H21B — CID 123735325

IUPACethyl-methyl-(3-methylpentyl)borane
SMILESCCB(C)CCC(C)CC
InChIInChI=1S/C9H21B/c1-5-9(3)7-8-10(4)6-2/h9H,5-8H2,1-4H3
InChIKeyACWOXEUUNDQXDQ-UHFFFAOYSA-N
MW140.08 g/mol
LogP3.57
Rot. Bonds5

About ethyl-methyl-(3-methylpentyl)borane

ethyl-methyl-(3-methylpentyl)borane (PubChem CID 123735325) has the molecular formula C9H21B and a molecular weight of 140.08 g/mol. Its IUPAC name is ethyl-methyl-(3-methylpentyl)borane.

Molecular Properties

Compound Nameethyl-methyl-(3-methylpentyl)borane
PubChem CID123735325
Molecular FormulaC9H21B
Molecular Weight140.08 g/mol
Exact Mass140.17
IUPAC Nameethyl-methyl-(3-methylpentyl)borane
SMILESCCB(C)CCC(C)CC
InChIInChI=1S/C9H21B/c1-5-9(3)7-8-10(4)6-2/h9H,5-8H2,1-4H3
InChIKeyACWOXEUUNDQXDQ-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethyl-methyl-(3-methylpentyl)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylpentane;propane
CID 123266773
2,5-dimethylheptane;propane
CID 145235091
(3R,7R)-3,7-dimethylnonane
CID 42626759
2,5-dimethylhexyl-methyl-(2-methylbutyl)borane
CID 123923562
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
(3R,6R)-3,6-dimethylnonane
CID 170848352
methane;3-methylpentane
CID 153359275
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 157218592
ethane;3-methylpentane
CID 91147782
butane-2-thiolate
CID 23432820
3,3-diethylpentane;3-methylhexane;3-methylpentane
CID 160955988

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-(3-methylpentyl)borane?
The IUPAC name of ethyl-methyl-(3-methylpentyl)borane (CID 123735325) is ethyl-methyl-(3-methylpentyl)borane.
What is the SMILES notation for ethyl-methyl-(3-methylpentyl)borane?
The canonical SMILES for ethyl-methyl-(3-methylpentyl)borane is CCB(C)CCC(C)CC.
What is the InChIKey of ethyl-methyl-(3-methylpentyl)borane?
The InChIKey is ACWOXEUUNDQXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21B/c1-5-9(3)7-8-10(4)6-2/h9H,5-8H2,1-4H3.
What are the key properties of ethyl-methyl-(3-methylpentyl)borane?
ethyl-methyl-(3-methylpentyl)borane has a molecular weight of 140.08 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-(3-methylpentyl)borane is sourced from PubChem (CID 123735325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).