CID 18462333

C7H15BO — CID 18462333

IUPAC—
SMILES[B]OC(C(C)C)C(C)C
InChIInChI=1S/C7H15BO/c1-5(2)7(9-8)6(3)4/h5-7H,1-4H3
InChIKeyAYXOIJQPPVBAHY-UHFFFAOYSA-N
MW126.01 g/mol
LogP1.77
Rot. Bonds3

About CID 18462333

CID 18462333 (PubChem CID 18462333) has the molecular formula C7H15BO and a molecular weight of 126.01 g/mol.

Molecular Properties

Compound NameCID 18462333
PubChem CID18462333
Molecular FormulaC7H15BO
Molecular Weight126.01 g/mol
Exact Mass126.12
IUPAC Name—
SMILES[B]OC(C(C)C)C(C)C
InChIInChI=1S/C7H15BO/c1-5(2)7(9-8)6(3)4/h5-7H,1-4H3
InChIKeyAYXOIJQPPVBAHY-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.01
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 18462333?
The IUPAC name of CID 18462333 (CID 18462333) is not available.
What is the SMILES notation for CID 18462333?
The canonical SMILES for CID 18462333 is [B]OC(C(C)C)C(C)C.
What is the InChIKey of CID 18462333?
The InChIKey is AYXOIJQPPVBAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO/c1-5(2)7(9-8)6(3)4/h5-7H,1-4H3.
What are the key properties of CID 18462333?
CID 18462333 has a molecular weight of 126.01 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18462333 is sourced from PubChem (CID 18462333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).