diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane

C15H23BO2 — CID 15568391

IUPACdiethoxy-[(1S,2S)-2-phenylcyclopentyl]borane
SMILESCCOB(OCC)[C@H]1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C15H23BO2/c1-3-17-16(18-4-2)15-12-8-11-14(15)13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyKDVHHKAHELJDSC-CABCVRRESA-N
MW246.16 g/mol
LogP3.89
Rot. Bonds6

About diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane

diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane (PubChem CID 15568391) has the molecular formula C15H23BO2 and a molecular weight of 246.16 g/mol. Its IUPAC name is diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane.

Molecular Properties

Compound Namediethoxy-[(1S,2S)-2-phenylcyclopentyl]borane
PubChem CID15568391
Molecular FormulaC15H23BO2
Molecular Weight246.16 g/mol
Exact Mass246.18
IUPAC Namediethoxy-[(1S,2S)-2-phenylcyclopentyl]borane
SMILESCCOB(OCC)[C@H]1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C15H23BO2/c1-3-17-16(18-4-2)15-12-8-11-14(15)13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyKDVHHKAHELJDSC-CABCVRRESA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 53.89
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 diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane?
The IUPAC name of diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane (CID 15568391) is diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane.
What is the SMILES notation for diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane?
The canonical SMILES for diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane is CCOB(OCC)[C@H]1CCC[C@@H]1c1ccccc1.
What is the InChIKey of diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane?
The InChIKey is KDVHHKAHELJDSC-CABCVRRESA-N. The full InChI is InChI=1S/C15H23BO2/c1-3-17-16(18-4-2)15-12-8-11-14(15)13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane?
diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane has a molecular weight of 246.16 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[(1S,2S)-2-phenylcyclopentyl]borane is sourced from PubChem (CID 15568391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).