CID 21335028

C9H15B — CID 21335028

IUPAC—
SMILES[B]/C(C)=C(\C)C(C)=C(C)C
InChIInChI=1S/C9H15B/c1-6(2)7(3)8(4)9(5)10/h1-5H3/b9-8+
InChIKeyWEKYEKFXQGTUKX-CMDGGOBGSA-N
MW134.03 g/mol
LogP2.81
Rot. Bonds1

About CID 21335028

CID 21335028 (PubChem CID 21335028) has the molecular formula C9H15B and a molecular weight of 134.03 g/mol.

Molecular Properties

Compound NameCID 21335028
PubChem CID21335028
Molecular FormulaC9H15B
Molecular Weight134.03 g/mol
Exact Mass134.13
IUPAC Name—
SMILES[B]/C(C)=C(\C)C(C)=C(C)C
InChIInChI=1S/C9H15B/c1-6(2)7(3)8(4)9(5)10/h1-5H3/b9-8+
InChIKeyWEKYEKFXQGTUKX-CMDGGOBGSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.03
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 21335028?
The IUPAC name of CID 21335028 (CID 21335028) is not available.
What is the SMILES notation for CID 21335028?
The canonical SMILES for CID 21335028 is [B]/C(C)=C(\C)C(C)=C(C)C.
What is the InChIKey of CID 21335028?
The InChIKey is WEKYEKFXQGTUKX-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H15B/c1-6(2)7(3)8(4)9(5)10/h1-5H3/b9-8+.
What are the key properties of CID 21335028?
CID 21335028 has a molecular weight of 134.03 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21335028 is sourced from PubChem (CID 21335028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).