CID 135037332

C9H17BO2P+ — CID 135037332

IUPAC—
SMILES[B][P+](C)(CC(=O)O)C1CCCCC1
InChIInChI=1S/C9H17BO2P/c1-13(10,7-9(11)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,12)/q+1
InChIKeyGTSCVJMULMYIME-UHFFFAOYSA-N
MW199.02 g/mol
LogP2.13
Rot. Bonds3

About CID 135037332

CID 135037332 (PubChem CID 135037332) has the molecular formula C9H17BO2P+ and a molecular weight of 199.02 g/mol.

Molecular Properties

Compound NameCID 135037332
PubChem CID135037332
Molecular FormulaC9H17BO2P+
Molecular Weight199.02 g/mol
Exact Mass199.11
IUPAC Name—
SMILES[B][P+](C)(CC(=O)O)C1CCCCC1
InChIInChI=1S/C9H17BO2P/c1-13(10,7-9(11)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,12)/q+1
InChIKeyGTSCVJMULMYIME-UHFFFAOYSA-N
XLogP2.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.02
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 135037332?
The IUPAC name of CID 135037332 (CID 135037332) is not available.
What is the SMILES notation for CID 135037332?
The canonical SMILES for CID 135037332 is [B][P+](C)(CC(=O)O)C1CCCCC1.
What is the InChIKey of CID 135037332?
The InChIKey is GTSCVJMULMYIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BO2P/c1-13(10,7-9(11)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,12)/q+1.
What are the key properties of CID 135037332?
CID 135037332 has a molecular weight of 199.02 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135037332 is sourced from PubChem (CID 135037332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).