CID 59960410

C16H24O5P — CID 59960410

IUPAC—
SMILESCOC(=O)C(C)(O)C1CC2(C)C(=CC1=O)CCC(O[PH])C2C
InChIInChI=1S/C16H24O5P/c1-9-13(21-22)6-5-10-7-12(17)11(8-15(9,10)2)16(3,19)14(18)20-4/h7,9,11,13,19,22H,5-6,8H2,1-4H3
InChIKeyBNEMLYOCXPZGMT-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.31
Rot. Bonds3

About CID 59960410

CID 59960410 (PubChem CID 59960410) has the molecular formula C16H24O5P and a molecular weight of 327.34 g/mol.

Molecular Properties

Compound NameCID 59960410
PubChem CID59960410
Molecular FormulaC16H24O5P
Molecular Weight327.34 g/mol
Exact Mass327.14
IUPAC Name—
SMILESCOC(=O)C(C)(O)C1CC2(C)C(=CC1=O)CCC(O[PH])C2C
InChIInChI=1S/C16H24O5P/c1-9-13(21-22)6-5-10-7-12(17)11(8-15(9,10)2)16(3,19)14(18)20-4/h7,9,11,13,19,22H,5-6,8H2,1-4H3
InChIKeyBNEMLYOCXPZGMT-UHFFFAOYSA-N
XLogP2.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 59960410?
The IUPAC name of CID 59960410 (CID 59960410) is not available.
What is the SMILES notation for CID 59960410?
The canonical SMILES for CID 59960410 is COC(=O)C(C)(O)C1CC2(C)C(=CC1=O)CCC(O[PH])C2C.
What is the InChIKey of CID 59960410?
The InChIKey is BNEMLYOCXPZGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5P/c1-9-13(21-22)6-5-10-7-12(17)11(8-15(9,10)2)16(3,19)14(18)20-4/h7,9,11,13,19,22H,5-6,8H2,1-4H3.
What are the key properties of CID 59960410?
CID 59960410 has a molecular weight of 327.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59960410 is sourced from PubChem (CID 59960410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).