CID 174024407

C6H14B2O2 — CID 174024407

IUPAC—
SMILESCC(C)(O)[B]C(C)(C)[B]O
InChIInChI=1S/C6H14B2O2/c1-5(2,8-10)7-6(3,4)9/h9-10H,1-4H3
InChIKeyGSHFFRVLGIRKMI-UHFFFAOYSA-N
MW139.80 g/mol
LogP0.19
Rot. Bonds3

About CID 174024407

CID 174024407 (PubChem CID 174024407) has the molecular formula C6H14B2O2 and a molecular weight of 139.80 g/mol.

Molecular Properties

Compound NameCID 174024407
PubChem CID174024407
Molecular FormulaC6H14B2O2
Molecular Weight139.80 g/mol
Exact Mass140.12
IUPAC Name—
SMILESCC(C)(O)[B]C(C)(C)[B]O
InChIInChI=1S/C6H14B2O2/c1-5(2,8-10)7-6(3,4)9/h9-10H,1-4H3
InChIKeyGSHFFRVLGIRKMI-UHFFFAOYSA-N
XLogP0.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.80
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 174024407?
The IUPAC name of CID 174024407 (CID 174024407) is not available.
What is the SMILES notation for CID 174024407?
The canonical SMILES for CID 174024407 is CC(C)(O)[B]C(C)(C)[B]O.
What is the InChIKey of CID 174024407?
The InChIKey is GSHFFRVLGIRKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14B2O2/c1-5(2,8-10)7-6(3,4)9/h9-10H,1-4H3.
What are the key properties of CID 174024407?
CID 174024407 has a molecular weight of 139.80 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174024407 is sourced from PubChem (CID 174024407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).