CID 135047331

C13H27P2V — CID 135047331

IUPAC—
SMILESC=C.CP(C)C.CP(C)C.[CH]1C=CC=C1.[V]
InChIInChI=1S/C5H5.2C3H9P.C2H4.V/c1-2-4-5-3-1;2*1-4(2)3;1-2;/h1-5H;2*1-3H3;1-2H2;
InChIKeyNIZPEZVYLHJECG-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.83
Rot. Bonds

About CID 135047331

CID 135047331 (PubChem CID 135047331) has the molecular formula C13H27P2V and a molecular weight of 296.25 g/mol.

Molecular Properties

Compound NameCID 135047331
PubChem CID135047331
Molecular FormulaC13H27P2V
Molecular Weight296.25 g/mol
Exact Mass296.10
IUPAC Name—
SMILESC=C.CP(C)C.CP(C)C.[CH]1C=CC=C1.[V]
InChIInChI=1S/C5H5.2C3H9P.C2H4.V/c1-2-4-5-3-1;2*1-4(2)3;1-2;/h1-5H;2*1-3H3;1-2H2;
InChIKeyNIZPEZVYLHJECG-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 135047331?
The IUPAC name of CID 135047331 (CID 135047331) is not available.
What is the SMILES notation for CID 135047331?
The canonical SMILES for CID 135047331 is C=C.CP(C)C.CP(C)C.[CH]1C=CC=C1.[V].
What is the InChIKey of CID 135047331?
The InChIKey is NIZPEZVYLHJECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2C3H9P.C2H4.V/c1-2-4-5-3-1;2*1-4(2)3;1-2;/h1-5H;2*1-3H3;1-2H2;.
What are the key properties of CID 135047331?
CID 135047331 has a molecular weight of 296.25 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135047331 is sourced from PubChem (CID 135047331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).