CID 174104009

C11H21B — CID 174104009

IUPAC—
SMILES[B]C(C)(C)C(C=C(C)C)C(C)C
InChIInChI=1S/C11H21B/c1-8(2)7-10(9(3)4)11(5,6)12/h7,9-10H,1-6H3
InChIKeyGYCWAROAODZKCY-UHFFFAOYSA-N
MW164.10 g/mol
LogP3.59
Rot. Bonds3

About CID 174104009

CID 174104009 (PubChem CID 174104009) has the molecular formula C11H21B and a molecular weight of 164.10 g/mol.

Molecular Properties

Compound NameCID 174104009
PubChem CID174104009
Molecular FormulaC11H21B
Molecular Weight164.10 g/mol
Exact Mass164.17
IUPAC Name—
SMILES[B]C(C)(C)C(C=C(C)C)C(C)C
InChIInChI=1S/C11H21B/c1-8(2)7-10(9(3)4)11(5,6)12/h7,9-10H,1-6H3
InChIKeyGYCWAROAODZKCY-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 53.59
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 174104009?
The IUPAC name of CID 174104009 (CID 174104009) is not available.
What is the SMILES notation for CID 174104009?
The canonical SMILES for CID 174104009 is [B]C(C)(C)C(C=C(C)C)C(C)C.
What is the InChIKey of CID 174104009?
The InChIKey is GYCWAROAODZKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21B/c1-8(2)7-10(9(3)4)11(5,6)12/h7,9-10H,1-6H3.
What are the key properties of CID 174104009?
CID 174104009 has a molecular weight of 164.10 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174104009 is sourced from PubChem (CID 174104009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).