CID 134902553

C16H30P2Zr — CID 134902553

IUPAC—
SMILESCP(C)CCP(C)C.[CH2][CH][CH][CH][CH2].[CH2][CH][CH][CH][CH2].[Zr]
InChIInChI=1S/C6H16P2.2C5H7.Zr/c1-7(2)5-6-8(3)4;2*1-3-5-4-2;/h5-6H2,1-4H3;2*3-5H,1-2H2;
InChIKeyXKHKJEDAGVIXMC-UHFFFAOYSA-N
MW375.59 g/mol
LogP5.00
Rot. Bonds7

About CID 134902553

CID 134902553 (PubChem CID 134902553) has the molecular formula C16H30P2Zr and a molecular weight of 375.59 g/mol.

Molecular Properties

Compound NameCID 134902553
PubChem CID134902553
Molecular FormulaC16H30P2Zr
Molecular Weight375.59 g/mol
Exact Mass374.09
IUPAC Name—
SMILESCP(C)CCP(C)C.[CH2][CH][CH][CH][CH2].[CH2][CH][CH][CH][CH2].[Zr]
InChIInChI=1S/C6H16P2.2C5H7.Zr/c1-7(2)5-6-8(3)4;2*1-3-5-4-2;/h5-6H2,1-4H3;2*3-5H,1-2H2;
InChIKeyXKHKJEDAGVIXMC-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.59
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 134902553?
The IUPAC name of CID 134902553 (CID 134902553) is not available.
What is the SMILES notation for CID 134902553?
The canonical SMILES for CID 134902553 is CP(C)CCP(C)C.[CH2][CH][CH][CH][CH2].[CH2][CH][CH][CH][CH2].[Zr].
What is the InChIKey of CID 134902553?
The InChIKey is XKHKJEDAGVIXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16P2.2C5H7.Zr/c1-7(2)5-6-8(3)4;2*1-3-5-4-2;/h5-6H2,1-4H3;2*3-5H,1-2H2;.
What are the key properties of CID 134902553?
CID 134902553 has a molecular weight of 375.59 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902553 is sourced from PubChem (CID 134902553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).