CID 20782811

C9H18BO2P — CID 20782811

IUPAC—
SMILES[B]C1OC(CC)C(OP(C)C)C1C
InChIInChI=1S/C9H18BO2P/c1-5-7-8(12-13(3)4)6(2)9(10)11-7/h6-9H,5H2,1-4H3
InChIKeyMBTBKYKSQJGGME-UHFFFAOYSA-N
MW200.03 g/mol
LogP1.97
Rot. Bonds3

About CID 20782811

CID 20782811 (PubChem CID 20782811) has the molecular formula C9H18BO2P and a molecular weight of 200.03 g/mol.

Molecular Properties

Compound NameCID 20782811
PubChem CID20782811
Molecular FormulaC9H18BO2P
Molecular Weight200.03 g/mol
Exact Mass200.11
IUPAC Name—
SMILES[B]C1OC(CC)C(OP(C)C)C1C
InChIInChI=1S/C9H18BO2P/c1-5-7-8(12-13(3)4)6(2)9(10)11-7/h6-9H,5H2,1-4H3
InChIKeyMBTBKYKSQJGGME-UHFFFAOYSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 20782811?
The IUPAC name of CID 20782811 (CID 20782811) is not available.
What is the SMILES notation for CID 20782811?
The canonical SMILES for CID 20782811 is [B]C1OC(CC)C(OP(C)C)C1C.
What is the InChIKey of CID 20782811?
The InChIKey is MBTBKYKSQJGGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BO2P/c1-5-7-8(12-13(3)4)6(2)9(10)11-7/h6-9H,5H2,1-4H3.
What are the key properties of CID 20782811?
CID 20782811 has a molecular weight of 200.03 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20782811 is sourced from PubChem (CID 20782811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).