CID 21348493

C9H18BO3P — CID 21348493

IUPAC—
SMILES[B]C1OC(COC)C(OP(C)C)C1C
InChIInChI=1S/C9H18BO3P/c1-6-8(13-14(3)4)7(5-11-2)12-9(6)10/h6-9H,5H2,1-4H3
InChIKeyONVRCHDSBWEHPL-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.20
Rot. Bonds4

About CID 21348493

CID 21348493 (PubChem CID 21348493) has the molecular formula C9H18BO3P and a molecular weight of 216.03 g/mol.

Molecular Properties

Compound NameCID 21348493
PubChem CID21348493
Molecular FormulaC9H18BO3P
Molecular Weight216.03 g/mol
Exact Mass216.11
IUPAC Name—
SMILES[B]C1OC(COC)C(OP(C)C)C1C
InChIInChI=1S/C9H18BO3P/c1-6-8(13-14(3)4)7(5-11-2)12-9(6)10/h6-9H,5H2,1-4H3
InChIKeyONVRCHDSBWEHPL-UHFFFAOYSA-N
XLogP1.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.20
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 21348493?
The IUPAC name of CID 21348493 (CID 21348493) is not available.
What is the SMILES notation for CID 21348493?
The canonical SMILES for CID 21348493 is [B]C1OC(COC)C(OP(C)C)C1C.
What is the InChIKey of CID 21348493?
The InChIKey is ONVRCHDSBWEHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BO3P/c1-6-8(13-14(3)4)7(5-11-2)12-9(6)10/h6-9H,5H2,1-4H3.
What are the key properties of CID 21348493?
CID 21348493 has a molecular weight of 216.03 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21348493 is sourced from PubChem (CID 21348493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).