CID 156648702

C10H11B5O — CID 156648702

IUPAC—
SMILES[B]C([B])=C(C1C=CC(C)(O)CC1)C([B])([B])[B]
InChIInChI=1S/C10H11B5O/c1-9(16)4-2-6(3-5-9)7(8(11)12)10(13,14)15/h2,4,6,16H,3,5H2,1H3
InChIKeyDYOIKCYLGZOJEE-UHFFFAOYSA-N
MW201.26 g/mol
LogP-0.17
Rot. Bonds2

About CID 156648702

CID 156648702 (PubChem CID 156648702) has the molecular formula C10H11B5O and a molecular weight of 201.26 g/mol.

Molecular Properties

Compound NameCID 156648702
PubChem CID156648702
Molecular FormulaC10H11B5O
Molecular Weight201.26 g/mol
Exact Mass202.13
IUPAC Name—
SMILES[B]C([B])=C(C1C=CC(C)(O)CC1)C([B])([B])[B]
InChIInChI=1S/C10H11B5O/c1-9(16)4-2-6(3-5-9)7(8(11)12)10(13,14)15/h2,4,6,16H,3,5H2,1H3
InChIKeyDYOIKCYLGZOJEE-UHFFFAOYSA-N
XLogP-0.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 156648702?
The IUPAC name of CID 156648702 (CID 156648702) is not available.
What is the SMILES notation for CID 156648702?
The canonical SMILES for CID 156648702 is [B]C([B])=C(C1C=CC(C)(O)CC1)C([B])([B])[B].
What is the InChIKey of CID 156648702?
The InChIKey is DYOIKCYLGZOJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11B5O/c1-9(16)4-2-6(3-5-9)7(8(11)12)10(13,14)15/h2,4,6,16H,3,5H2,1H3.
What are the key properties of CID 156648702?
CID 156648702 has a molecular weight of 201.26 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156648702 is sourced from PubChem (CID 156648702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).