dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane

C8H17BO2 — CID 11480571

IUPACdimethoxy-[(1R,2S)-2-methylcyclopentyl]borane
SMILESCOB(OC)[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C8H17BO2/c1-7-5-4-6-8(7)9(10-2)11-3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyJQVWLDGWZDLNGR-JGVFFNPUSA-N
MW156.03 g/mol
LogP1.96
Rot. Bonds3

About dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane

dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane (PubChem CID 11480571) has the molecular formula C8H17BO2 and a molecular weight of 156.03 g/mol. Its IUPAC name is dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane.

Molecular Properties

Compound Namedimethoxy-[(1R,2S)-2-methylcyclopentyl]borane
PubChem CID11480571
Molecular FormulaC8H17BO2
Molecular Weight156.03 g/mol
Exact Mass156.13
IUPAC Namedimethoxy-[(1R,2S)-2-methylcyclopentyl]borane
SMILESCOB(OC)[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C8H17BO2/c1-7-5-4-6-8(7)9(10-2)11-3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyJQVWLDGWZDLNGR-JGVFFNPUSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.03
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane?
The IUPAC name of dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane (CID 11480571) is dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane.
What is the SMILES notation for dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane?
The canonical SMILES for dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane is COB(OC)[C@@H]1CCC[C@@H]1C.
What is the InChIKey of dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane?
The InChIKey is JQVWLDGWZDLNGR-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17BO2/c1-7-5-4-6-8(7)9(10-2)11-3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane?
dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane has a molecular weight of 156.03 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[(1R,2S)-2-methylcyclopentyl]borane is sourced from PubChem (CID 11480571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).