CID 164674350

C7H21BO2P2Rh- — CID 164674350

IUPAC—
SMILESCC1(C)O[B]OC1(C)C.P.P.[CH3-].[Rh]
InChIInChI=1S/C6H12BO2.CH3.2H3P.Rh/c1-5(2)6(3,4)9-7-8-5;;;;/h1-4H3;3*1H3;/q;-1;;;
InChIKeyMWNZFPGAIOANEA-UHFFFAOYSA-N
MW312.91 g/mol
LogP1.69
Rot. Bonds

About CID 164674350

CID 164674350 (PubChem CID 164674350) has the molecular formula C7H21BO2P2Rh- and a molecular weight of 312.91 g/mol.

Molecular Properties

Compound NameCID 164674350
PubChem CID164674350
Molecular FormulaC7H21BO2P2Rh-
Molecular Weight312.91 g/mol
Exact Mass313.02
IUPAC Name—
SMILESCC1(C)O[B]OC1(C)C.P.P.[CH3-].[Rh]
InChIInChI=1S/C6H12BO2.CH3.2H3P.Rh/c1-5(2)6(3,4)9-7-8-5;;;;/h1-4H3;3*1H3;/q;-1;;;
InChIKeyMWNZFPGAIOANEA-UHFFFAOYSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.91
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 164674350?
The IUPAC name of CID 164674350 (CID 164674350) is not available.
What is the SMILES notation for CID 164674350?
The canonical SMILES for CID 164674350 is CC1(C)O[B]OC1(C)C.P.P.[CH3-].[Rh].
What is the InChIKey of CID 164674350?
The InChIKey is MWNZFPGAIOANEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BO2.CH3.2H3P.Rh/c1-5(2)6(3,4)9-7-8-5;;;;/h1-4H3;3*1H3;/q;-1;;;.
What are the key properties of CID 164674350?
CID 164674350 has a molecular weight of 312.91 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164674350 is sourced from PubChem (CID 164674350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).