CID 134885972

C9H15BP — CID 134885972

IUPAC—
SMILESC=CCP(CC=C)CC=C.[B]
InChIInChI=1S/C9H15P.B/c1-4-7-10(8-5-2)9-6-3;/h4-6H,1-3,7-9H2;
InChIKeyGCCVKPYCZHQONN-UHFFFAOYSA-N
MW165.00 g/mol
LogP2.65
Rot. Bonds6

About CID 134885972

CID 134885972 (PubChem CID 134885972) has the molecular formula C9H15BP and a molecular weight of 165.00 g/mol.

Molecular Properties

Compound NameCID 134885972
PubChem CID134885972
Molecular FormulaC9H15BP
Molecular Weight165.00 g/mol
Exact Mass165.10
IUPAC Name—
SMILESC=CCP(CC=C)CC=C.[B]
InChIInChI=1S/C9H15P.B/c1-4-7-10(8-5-2)9-6-3;/h4-6H,1-3,7-9H2;
InChIKeyGCCVKPYCZHQONN-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 ≤ 500165.00
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 134885972?
The IUPAC name of CID 134885972 (CID 134885972) is not available.
What is the SMILES notation for CID 134885972?
The canonical SMILES for CID 134885972 is C=CCP(CC=C)CC=C.[B].
What is the InChIKey of CID 134885972?
The InChIKey is GCCVKPYCZHQONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15P.B/c1-4-7-10(8-5-2)9-6-3;/h4-6H,1-3,7-9H2;.
What are the key properties of CID 134885972?
CID 134885972 has a molecular weight of 165.00 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 134885972 is sourced from PubChem (CID 134885972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).