CID 20594506

C8H15BO2 — CID 20594506

IUPAC—
SMILES[B]C1OC(COC)C(C)C1C
InChIInChI=1S/C8H15BO2/c1-5-6(2)8(9)11-7(5)4-10-3/h5-8H,4H2,1-3H3
InChIKeySCSYRBHXAMEGJK-UHFFFAOYSA-N
MW154.02 g/mol
LogP0.80
Rot. Bonds2

About CID 20594506

CID 20594506 (PubChem CID 20594506) has the molecular formula C8H15BO2 and a molecular weight of 154.02 g/mol.

Molecular Properties

Compound NameCID 20594506
PubChem CID20594506
Molecular FormulaC8H15BO2
Molecular Weight154.02 g/mol
Exact Mass154.12
IUPAC Name—
SMILES[B]C1OC(COC)C(C)C1C
InChIInChI=1S/C8H15BO2/c1-5-6(2)8(9)11-7(5)4-10-3/h5-8H,4H2,1-3H3
InChIKeySCSYRBHXAMEGJK-UHFFFAOYSA-N
XLogP0.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.02
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 22965519
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CID 23393528
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Frequently Asked Questions

What is the IUPAC name of CID 20594506?
The IUPAC name of CID 20594506 (CID 20594506) is not available.
What is the SMILES notation for CID 20594506?
The canonical SMILES for CID 20594506 is [B]C1OC(COC)C(C)C1C.
What is the InChIKey of CID 20594506?
The InChIKey is SCSYRBHXAMEGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BO2/c1-5-6(2)8(9)11-7(5)4-10-3/h5-8H,4H2,1-3H3.
What are the key properties of CID 20594506?
CID 20594506 has a molecular weight of 154.02 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20594506 is sourced from PubChem (CID 20594506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).