CID 134898231

C14H24CrO3P — CID 134898231

IUPAC—
SMILESC=CCCC=C.COP(OC)OC.[CH]1C=CC=C1.[Cr]
InChIInChI=1S/C6H10.C5H5.C3H9O3P.Cr/c1-3-5-6-4-2;1-2-4-5-3-1;1-4-7(5-2)6-3;/h3-4H,1-2,5-6H2;1-5H;1-3H3;
InChIKeyLZQRKCWVPHUDKX-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.61
Rot. Bonds6

About CID 134898231

CID 134898231 (PubChem CID 134898231) has the molecular formula C14H24CrO3P and a molecular weight of 323.31 g/mol.

Molecular Properties

Compound NameCID 134898231
PubChem CID134898231
Molecular FormulaC14H24CrO3P
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name—
SMILESC=CCCC=C.COP(OC)OC.[CH]1C=CC=C1.[Cr]
InChIInChI=1S/C6H10.C5H5.C3H9O3P.Cr/c1-3-5-6-4-2;1-2-4-5-3-1;1-4-7(5-2)6-3;/h3-4H,1-2,5-6H2;1-5H;1-3H3;
InChIKeyLZQRKCWVPHUDKX-UHFFFAOYSA-N
XLogP4.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134898231?
The IUPAC name of CID 134898231 (CID 134898231) is not available.
What is the SMILES notation for CID 134898231?
The canonical SMILES for CID 134898231 is C=CCCC=C.COP(OC)OC.[CH]1C=CC=C1.[Cr].
What is the InChIKey of CID 134898231?
The InChIKey is LZQRKCWVPHUDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C5H5.C3H9O3P.Cr/c1-3-5-6-4-2;1-2-4-5-3-1;1-4-7(5-2)6-3;/h3-4H,1-2,5-6H2;1-5H;1-3H3;.
What are the key properties of CID 134898231?
CID 134898231 has a molecular weight of 323.31 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134898231 is sourced from PubChem (CID 134898231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).