CID 134899245

C16H32MoO6P2 — CID 134899245

IUPAC—
SMILESCC(C)CC#[Mo].COP(OC)OC.COP(OC)OC.[CH]1C=CC=C1
InChIInChI=1S/C5H5.C5H9.2C3H9O3P.Mo/c1-2-4-5-3-1;1-4-5(2)3;2*1-4-7(5-2)6-3;/h1-5H;5H,4H2,2-3H3;2*1-3H3;
InChIKeyGGUCGLVYYWPLFM-UHFFFAOYSA-N
MW478.31 g/mol
LogP5.16
Rot. Bonds7

About CID 134899245

CID 134899245 (PubChem CID 134899245) has the molecular formula C16H32MoO6P2 and a molecular weight of 478.31 g/mol.

Molecular Properties

Compound NameCID 134899245
PubChem CID134899245
Molecular FormulaC16H32MoO6P2
Molecular Weight478.31 g/mol
Exact Mass480.07
IUPAC Name—
SMILESCC(C)CC#[Mo].COP(OC)OC.COP(OC)OC.[CH]1C=CC=C1
InChIInChI=1S/C5H5.C5H9.2C3H9O3P.Mo/c1-2-4-5-3-1;1-4-5(2)3;2*1-4-7(5-2)6-3;/h1-5H;5H,4H2,2-3H3;2*1-3H3;
InChIKeyGGUCGLVYYWPLFM-UHFFFAOYSA-N
XLogP5.16
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.31
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 134899245?
The IUPAC name of CID 134899245 (CID 134899245) is not available.
What is the SMILES notation for CID 134899245?
The canonical SMILES for CID 134899245 is CC(C)CC#[Mo].COP(OC)OC.COP(OC)OC.[CH]1C=CC=C1.
What is the InChIKey of CID 134899245?
The InChIKey is GGUCGLVYYWPLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C5H9.2C3H9O3P.Mo/c1-2-4-5-3-1;1-4-5(2)3;2*1-4-7(5-2)6-3;/h1-5H;5H,4H2,2-3H3;2*1-3H3;.
What are the key properties of CID 134899245?
CID 134899245 has a molecular weight of 478.31 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134899245 is sourced from PubChem (CID 134899245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).