CID 141147216

C7H14BO2 — CID 141147216

IUPAC—
SMILESCC1(C)CO[B]OC1(C)C
InChIInChI=1S/C7H14BO2/c1-6(2)5-9-8-10-7(6,3)4/h5H2,1-4H3
InChIKeyTYMFDLYICNTGRW-UHFFFAOYSA-N
MW141.00 g/mol
LogP1.37
Rot. Bonds

About CID 141147216

CID 141147216 (PubChem CID 141147216) has the molecular formula C7H14BO2 and a molecular weight of 141.00 g/mol.

Molecular Properties

Compound NameCID 141147216
PubChem CID141147216
Molecular FormulaC7H14BO2
Molecular Weight141.00 g/mol
Exact Mass141.11
IUPAC Name—
SMILESCC1(C)CO[B]OC1(C)C
InChIInChI=1S/C7H14BO2/c1-6(2)5-9-8-10-7(6,3)4/h5H2,1-4H3
InChIKeyTYMFDLYICNTGRW-UHFFFAOYSA-N
XLogP1.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 51.37
H-Bond Donors ≤ 50
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 141147216?
The IUPAC name of CID 141147216 (CID 141147216) is not available.
What is the SMILES notation for CID 141147216?
The canonical SMILES for CID 141147216 is CC1(C)CO[B]OC1(C)C.
What is the InChIKey of CID 141147216?
The InChIKey is TYMFDLYICNTGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BO2/c1-6(2)5-9-8-10-7(6,3)4/h5H2,1-4H3.
What are the key properties of CID 141147216?
CID 141147216 has a molecular weight of 141.00 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 141147216 is sourced from PubChem (CID 141147216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).