CID 123851826

C6H14BO2 — CID 123851826

IUPAC—
SMILES[BH]OC(C)(C)C(C)(C)O
InChIInChI=1S/C6H14BO2/c1-5(2,8)6(3,4)9-7/h7-8H,1-4H3
InChIKeyFORBZMDVOQFJNU-UHFFFAOYSA-N
MW128.99 g/mol
LogP0.37
Rot. Bonds2

About CID 123851826

CID 123851826 (PubChem CID 123851826) has the molecular formula C6H14BO2 and a molecular weight of 128.99 g/mol.

Molecular Properties

Compound NameCID 123851826
PubChem CID123851826
Molecular FormulaC6H14BO2
Molecular Weight128.99 g/mol
Exact Mass129.11
IUPAC Name—
SMILES[BH]OC(C)(C)C(C)(C)O
InChIInChI=1S/C6H14BO2/c1-5(2,8)6(3,4)9-7/h7-8H,1-4H3
InChIKeyFORBZMDVOQFJNU-UHFFFAOYSA-N
XLogP0.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.99
LogP ≤ 50.37
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 123851826?
The IUPAC name of CID 123851826 (CID 123851826) is not available.
What is the SMILES notation for CID 123851826?
The canonical SMILES for CID 123851826 is [BH]OC(C)(C)C(C)(C)O.
What is the InChIKey of CID 123851826?
The InChIKey is FORBZMDVOQFJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BO2/c1-5(2,8)6(3,4)9-7/h7-8H,1-4H3.
What are the key properties of CID 123851826?
CID 123851826 has a molecular weight of 128.99 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123851826 is sourced from PubChem (CID 123851826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).