CID 20652008

C8H14BO3P — CID 20652008

IUPAC—
SMILES[B]C1CC(C)C(CC)(OCP=O)O1
InChIInChI=1S/C8H14BO3P/c1-3-8(11-5-13-10)6(2)4-7(9)12-8/h6-7H,3-5H2,1-2H3
InChIKeyQOHZHXQORMHDLG-UHFFFAOYSA-N
MW199.98 g/mol
LogP1.91
Rot. Bonds4

About CID 20652008

CID 20652008 (PubChem CID 20652008) has the molecular formula C8H14BO3P and a molecular weight of 199.98 g/mol.

Molecular Properties

Compound NameCID 20652008
PubChem CID20652008
Molecular FormulaC8H14BO3P
Molecular Weight199.98 g/mol
Exact Mass200.08
IUPAC Name—
SMILES[B]C1CC(C)C(CC)(OCP=O)O1
InChIInChI=1S/C8H14BO3P/c1-3-8(11-5-13-10)6(2)4-7(9)12-8/h6-7H,3-5H2,1-2H3
InChIKeyQOHZHXQORMHDLG-UHFFFAOYSA-N
XLogP1.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.98
LogP ≤ 51.91
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 20652008?
The IUPAC name of CID 20652008 (CID 20652008) is not available.
What is the SMILES notation for CID 20652008?
The canonical SMILES for CID 20652008 is [B]C1CC(C)C(CC)(OCP=O)O1.
What is the InChIKey of CID 20652008?
The InChIKey is QOHZHXQORMHDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BO3P/c1-3-8(11-5-13-10)6(2)4-7(9)12-8/h6-7H,3-5H2,1-2H3.
What are the key properties of CID 20652008?
CID 20652008 has a molecular weight of 199.98 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20652008 is sourced from PubChem (CID 20652008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).