CID 21036214

C8H16B2O3P — CID 21036214

IUPAC—
SMILES[B][B]C1CC(OC)C(COP(C)C)O1
InChIInChI=1S/C8H16B2O3P/c1-11-6-4-8(10-9)13-7(6)5-12-14(2)3/h6-8H,4-5H2,1-3H3
InChIKeyZQEZQWHGMOWBGD-UHFFFAOYSA-N
MW212.81 g/mol
LogP0.58
Rot. Bonds5

About CID 21036214

CID 21036214 (PubChem CID 21036214) has the molecular formula C8H16B2O3P and a molecular weight of 212.81 g/mol.

Molecular Properties

Compound NameCID 21036214
PubChem CID21036214
Molecular FormulaC8H16B2O3P
Molecular Weight212.81 g/mol
Exact Mass213.10
IUPAC Name—
SMILES[B][B]C1CC(OC)C(COP(C)C)O1
InChIInChI=1S/C8H16B2O3P/c1-11-6-4-8(10-9)13-7(6)5-12-14(2)3/h6-8H,4-5H2,1-3H3
InChIKeyZQEZQWHGMOWBGD-UHFFFAOYSA-N
XLogP0.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.81
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21036214?
The IUPAC name of CID 21036214 (CID 21036214) is not available.
What is the SMILES notation for CID 21036214?
The canonical SMILES for CID 21036214 is [B][B]C1CC(OC)C(COP(C)C)O1.
What is the InChIKey of CID 21036214?
The InChIKey is ZQEZQWHGMOWBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16B2O3P/c1-11-6-4-8(10-9)13-7(6)5-12-14(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of CID 21036214?
CID 21036214 has a molecular weight of 212.81 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21036214 is sourced from PubChem (CID 21036214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).