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

C11H23BO2 — CID 11106312

IUPACdiethoxy-[(1S,2S)-2-methylcyclohexyl]borane
SMILESCCOB(OCC)[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C11H23BO2/c1-4-13-12(14-5-2)11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyGOWXIMDXNBXQKE-QWRGUYRKSA-N
MW198.11 g/mol
LogP3.13
Rot. Bonds5

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

diethoxy-[(1S,2S)-2-methylcyclohexyl]borane (PubChem CID 11106312) has the molecular formula C11H23BO2 and a molecular weight of 198.11 g/mol. Its IUPAC name is diethoxy-[(1S,2S)-2-methylcyclohexyl]borane.

Molecular Properties

Compound Namediethoxy-[(1S,2S)-2-methylcyclohexyl]borane
PubChem CID11106312
Molecular FormulaC11H23BO2
Molecular Weight198.11 g/mol
Exact Mass198.18
IUPAC Namediethoxy-[(1S,2S)-2-methylcyclohexyl]borane
SMILESCCOB(OCC)[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C11H23BO2/c1-4-13-12(14-5-2)11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyGOWXIMDXNBXQKE-QWRGUYRKSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diethoxy-[(1S,2S)-2-methylcyclohexyl]borane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethoxy-[(1S,2S)-2-methylcyclohexyl]borane?
The IUPAC name of diethoxy-[(1S,2S)-2-methylcyclohexyl]borane (CID 11106312) is diethoxy-[(1S,2S)-2-methylcyclohexyl]borane.
What is the SMILES notation for diethoxy-[(1S,2S)-2-methylcyclohexyl]borane?
The canonical SMILES for diethoxy-[(1S,2S)-2-methylcyclohexyl]borane is CCOB(OCC)[C@H]1CCCC[C@@H]1C.
What is the InChIKey of diethoxy-[(1S,2S)-2-methylcyclohexyl]borane?
The InChIKey is GOWXIMDXNBXQKE-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23BO2/c1-4-13-12(14-5-2)11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of diethoxy-[(1S,2S)-2-methylcyclohexyl]borane?
diethoxy-[(1S,2S)-2-methylcyclohexyl]borane has a molecular weight of 198.11 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[(1S,2S)-2-methylcyclohexyl]borane is sourced from PubChem (CID 11106312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).