CID 58183426

C10H18BO2 — CID 58183426

IUPAC—
SMILESCC1C[B]C2CCCCC2(O)OC1
InChIInChI=1S/C10H18BO2/c1-8-6-11-9-4-2-3-5-10(9,12)13-7-8/h8-9,12H,2-7H2,1H3
InChIKeyCOXIZDQXOLGCOV-UHFFFAOYSA-N
MW181.06 g/mol
LogP1.83
Rot. Bonds

About CID 58183426

CID 58183426 (PubChem CID 58183426) has the molecular formula C10H18BO2 and a molecular weight of 181.06 g/mol.

Molecular Properties

Compound NameCID 58183426
PubChem CID58183426
Molecular FormulaC10H18BO2
Molecular Weight181.06 g/mol
Exact Mass181.14
IUPAC Name—
SMILESCC1C[B]C2CCCCC2(O)OC1
InChIInChI=1S/C10H18BO2/c1-8-6-11-9-4-2-3-5-10(9,12)13-7-8/h8-9,12H,2-7H2,1H3
InChIKeyCOXIZDQXOLGCOV-UHFFFAOYSA-N
XLogP1.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.06
LogP ≤ 51.83
H-Bond Donors ≤ 51
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 58183426?
The IUPAC name of CID 58183426 (CID 58183426) is not available.
What is the SMILES notation for CID 58183426?
The canonical SMILES for CID 58183426 is CC1C[B]C2CCCCC2(O)OC1.
What is the InChIKey of CID 58183426?
The InChIKey is COXIZDQXOLGCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BO2/c1-8-6-11-9-4-2-3-5-10(9,12)13-7-8/h8-9,12H,2-7H2,1H3.
What are the key properties of CID 58183426?
CID 58183426 has a molecular weight of 181.06 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58183426 is sourced from PubChem (CID 58183426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).