CID 87126920

C9H15InP — CID 87126920

IUPAC—
SMILESC=CCP(CC=C)CC=C.[In]
InChIInChI=1S/C9H15P.In/c1-4-7-10(8-5-2)9-6-3;/h4-6H,1-3,7-9H2;
InChIKeyPYJAZVQTMPJSSU-UHFFFAOYSA-N
MW269.01 g/mol
LogP2.65
Rot. Bonds6

About CID 87126920

CID 87126920 (PubChem CID 87126920) has the molecular formula C9H15InP and a molecular weight of 269.01 g/mol.

Molecular Properties

Compound NameCID 87126920
PubChem CID87126920
Molecular FormulaC9H15InP
Molecular Weight269.01 g/mol
Exact Mass269.00
IUPAC Name—
SMILESC=CCP(CC=C)CC=C.[In]
InChIInChI=1S/C9H15P.In/c1-4-7-10(8-5-2)9-6-3;/h4-6H,1-3,7-9H2;
InChIKeyPYJAZVQTMPJSSU-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.01
LogP ≤ 52.65
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 87126920?
The IUPAC name of CID 87126920 (CID 87126920) is not available.
What is the SMILES notation for CID 87126920?
The canonical SMILES for CID 87126920 is C=CCP(CC=C)CC=C.[In].
What is the InChIKey of CID 87126920?
The InChIKey is PYJAZVQTMPJSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15P.In/c1-4-7-10(8-5-2)9-6-3;/h4-6H,1-3,7-9H2;.
What are the key properties of CID 87126920?
CID 87126920 has a molecular weight of 269.01 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87126920 is sourced from PubChem (CID 87126920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).