CID 134899828

C18H32OPRh — CID 134899828

IUPAC—
SMILESCC(C)(C)P(C(C)(C)C)C(C)(C)C.[C-]#[O+].[CH]1C=CC=C1.[Rh]
InChIInChI=1S/C12H27P.C5H5.CO.Rh/c1-10(2,3)13(11(4,5)6)12(7,8)9;1-2-4-5-3-1;1-2;/h1-9H3;1-5H;;
InChIKeyYNIKULQKUSEYIJ-UHFFFAOYSA-N
MW398.33 g/mol
LogP6.14
Rot. Bonds

About CID 134899828

CID 134899828 (PubChem CID 134899828) has the molecular formula C18H32OPRh and a molecular weight of 398.33 g/mol.

Molecular Properties

Compound NameCID 134899828
PubChem CID134899828
Molecular FormulaC18H32OPRh
Molecular Weight398.33 g/mol
Exact Mass398.12
IUPAC Name—
SMILESCC(C)(C)P(C(C)(C)C)C(C)(C)C.[C-]#[O+].[CH]1C=CC=C1.[Rh]
InChIInChI=1S/C12H27P.C5H5.CO.Rh/c1-10(2,3)13(11(4,5)6)12(7,8)9;1-2-4-5-3-1;1-2;/h1-9H3;1-5H;;
InChIKeyYNIKULQKUSEYIJ-UHFFFAOYSA-N
XLogP6.14
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.33
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134899828?
The IUPAC name of CID 134899828 (CID 134899828) is not available.
What is the SMILES notation for CID 134899828?
The canonical SMILES for CID 134899828 is CC(C)(C)P(C(C)(C)C)C(C)(C)C.[C-]#[O+].[CH]1C=CC=C1.[Rh].
What is the InChIKey of CID 134899828?
The InChIKey is YNIKULQKUSEYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P.C5H5.CO.Rh/c1-10(2,3)13(11(4,5)6)12(7,8)9;1-2-4-5-3-1;1-2;/h1-9H3;1-5H;;.
What are the key properties of CID 134899828?
CID 134899828 has a molecular weight of 398.33 g/mol, XLogP of 6.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134899828 is sourced from PubChem (CID 134899828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).