CID 89088507

C8H15BO — CID 89088507

IUPAC—
SMILES[B]C1CCC(O)CC1CC
InChIInChI=1S/C8H15BO/c1-2-6-5-7(10)3-4-8(6)9/h6-8,10H,2-5H2,1H3
InChIKeyNJJZJXRYGPGCFW-UHFFFAOYSA-N
MW138.02 g/mol
LogP1.51
Rot. Bonds1

About CID 89088507

CID 89088507 (PubChem CID 89088507) has the molecular formula C8H15BO and a molecular weight of 138.02 g/mol.

Molecular Properties

Compound NameCID 89088507
PubChem CID89088507
Molecular FormulaC8H15BO
Molecular Weight138.02 g/mol
Exact Mass138.12
IUPAC Name—
SMILES[B]C1CCC(O)CC1CC
InChIInChI=1S/C8H15BO/c1-2-6-5-7(10)3-4-8(6)9/h6-8,10H,2-5H2,1H3
InChIKeyNJJZJXRYGPGCFW-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.02
LogP ≤ 51.51
H-Bond Donors ≤ 51
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 89088507?
The IUPAC name of CID 89088507 (CID 89088507) is not available.
What is the SMILES notation for CID 89088507?
The canonical SMILES for CID 89088507 is [B]C1CCC(O)CC1CC.
What is the InChIKey of CID 89088507?
The InChIKey is NJJZJXRYGPGCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BO/c1-2-6-5-7(10)3-4-8(6)9/h6-8,10H,2-5H2,1H3.
What are the key properties of CID 89088507?
CID 89088507 has a molecular weight of 138.02 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89088507 is sourced from PubChem (CID 89088507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).