CID 139233760

C22H31OP — CID 139233760

IUPAC—
SMILESCC1(C)C2CCC1(C)C1(C2)CC2(CCP(=O)(c3ccccc3)C2)C1
InChIInChI=1S/C22H31OP/c1-19(2)17-9-10-20(19,3)22(13-17)14-21(15-22)11-12-24(23,16-21)18-7-5-4-6-8-18/h4-8,17H,9-16H2,1-3H3
InChIKeyZQQATPNANNKFIL-UHFFFAOYSA-N
MW342.46 g/mol
LogP5.69
Rot. Bonds1

About CID 139233760

CID 139233760 (PubChem CID 139233760) has the molecular formula C22H31OP and a molecular weight of 342.46 g/mol.

Molecular Properties

Compound NameCID 139233760
PubChem CID139233760
Molecular FormulaC22H31OP
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name—
SMILESCC1(C)C2CCC1(C)C1(C2)CC2(CCP(=O)(c3ccccc3)C2)C1
InChIInChI=1S/C22H31OP/c1-19(2)17-9-10-20(19,3)22(13-17)14-21(15-22)11-12-24(23,16-21)18-7-5-4-6-8-18/h4-8,17H,9-16H2,1-3H3
InChIKeyZQQATPNANNKFIL-UHFFFAOYSA-N
XLogP5.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.46
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 139233760?
The IUPAC name of CID 139233760 (CID 139233760) is not available.
What is the SMILES notation for CID 139233760?
The canonical SMILES for CID 139233760 is CC1(C)C2CCC1(C)C1(C2)CC2(CCP(=O)(c3ccccc3)C2)C1.
What is the InChIKey of CID 139233760?
The InChIKey is ZQQATPNANNKFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31OP/c1-19(2)17-9-10-20(19,3)22(13-17)14-21(15-22)11-12-24(23,16-21)18-7-5-4-6-8-18/h4-8,17H,9-16H2,1-3H3.
What are the key properties of CID 139233760?
CID 139233760 has a molecular weight of 342.46 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139233760 is sourced from PubChem (CID 139233760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).