CID 123249576

C10H20B — CID 123249576

IUPAC—
SMILESCC(C)=C([B]C(C)C)C(C)C
InChIInChI=1S/C10H20B/c1-7(2)10(8(3)4)11-9(5)6/h7,9H,1-6H3
InChIKeyVCUUARULGICCJV-UHFFFAOYSA-N
MW151.08 g/mol
LogP3.47
Rot. Bonds3

About CID 123249576

CID 123249576 (PubChem CID 123249576) has the molecular formula C10H20B and a molecular weight of 151.08 g/mol.

Molecular Properties

Compound NameCID 123249576
PubChem CID123249576
Molecular FormulaC10H20B
Molecular Weight151.08 g/mol
Exact Mass151.17
IUPAC Name—
SMILESCC(C)=C([B]C(C)C)C(C)C
InChIInChI=1S/C10H20B/c1-7(2)10(8(3)4)11-9(5)6/h7,9H,1-6H3
InChIKeyVCUUARULGICCJV-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.08
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 123249576?
The IUPAC name of CID 123249576 (CID 123249576) is not available.
What is the SMILES notation for CID 123249576?
The canonical SMILES for CID 123249576 is CC(C)=C([B]C(C)C)C(C)C.
What is the InChIKey of CID 123249576?
The InChIKey is VCUUARULGICCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20B/c1-7(2)10(8(3)4)11-9(5)6/h7,9H,1-6H3.
What are the key properties of CID 123249576?
CID 123249576 has a molecular weight of 151.08 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123249576 is sourced from PubChem (CID 123249576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).