CID 173497907

C10H20B2 — CID 173497907

IUPAC—
SMILESC[B]C/C(CC)=C(/CC)C[B]C
InChIInChI=1S/C10H20B2/c1-5-9(7-11-3)10(6-2)8-12-4/h5-8H2,1-4H3/b10-9-
InChIKeyDOAKPUWCCUHUIO-KTKRTIGZSA-N
MW161.89 g/mol
LogP3.44
Rot. Bonds6

About CID 173497907

CID 173497907 (PubChem CID 173497907) has the molecular formula C10H20B2 and a molecular weight of 161.89 g/mol.

Molecular Properties

Compound NameCID 173497907
PubChem CID173497907
Molecular FormulaC10H20B2
Molecular Weight161.89 g/mol
Exact Mass162.18
IUPAC Name—
SMILESC[B]C/C(CC)=C(/CC)C[B]C
InChIInChI=1S/C10H20B2/c1-5-9(7-11-3)10(6-2)8-12-4/h5-8H2,1-4H3/b10-9-
InChIKeyDOAKPUWCCUHUIO-KTKRTIGZSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.89
LogP ≤ 53.44
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 173497907?
The IUPAC name of CID 173497907 (CID 173497907) is not available.
What is the SMILES notation for CID 173497907?
The canonical SMILES for CID 173497907 is C[B]C/C(CC)=C(/CC)C[B]C.
What is the InChIKey of CID 173497907?
The InChIKey is DOAKPUWCCUHUIO-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H20B2/c1-5-9(7-11-3)10(6-2)8-12-4/h5-8H2,1-4H3/b10-9-.
What are the key properties of CID 173497907?
CID 173497907 has a molecular weight of 161.89 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173497907 is sourced from PubChem (CID 173497907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).