CID 89075521

C10H19BOS — CID 89075521

IUPAC—
SMILES[B][C@@H]1OC(CC)(CC)C(C)C1SC
InChIInChI=1S/C10H19BOS/c1-5-10(6-2)7(3)8(13-4)9(11)12-10/h7-9H,5-6H2,1-4H3/t7?,8?,9-/m1/s1
InChIKeyBAHRLRHJLWGSBO-AMDVSUOASA-N
MW198.14 g/mol
LogP2.44
Rot. Bonds3

About CID 89075521

CID 89075521 (PubChem CID 89075521) has the molecular formula C10H19BOS and a molecular weight of 198.14 g/mol.

Molecular Properties

Compound NameCID 89075521
PubChem CID89075521
Molecular FormulaC10H19BOS
Molecular Weight198.14 g/mol
Exact Mass198.12
IUPAC Name—
SMILES[B][C@@H]1OC(CC)(CC)C(C)C1SC
InChIInChI=1S/C10H19BOS/c1-5-10(6-2)7(3)8(13-4)9(11)12-10/h7-9H,5-6H2,1-4H3/t7?,8?,9-/m1/s1
InChIKeyBAHRLRHJLWGSBO-AMDVSUOASA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 89075521 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 89075521?
The IUPAC name of CID 89075521 (CID 89075521) is not available.
What is the SMILES notation for CID 89075521?
The canonical SMILES for CID 89075521 is [B][C@@H]1OC(CC)(CC)C(C)C1SC.
What is the InChIKey of CID 89075521?
The InChIKey is BAHRLRHJLWGSBO-AMDVSUOASA-N. The full InChI is InChI=1S/C10H19BOS/c1-5-10(6-2)7(3)8(13-4)9(11)12-10/h7-9H,5-6H2,1-4H3/t7?,8?,9-/m1/s1.
What are the key properties of CID 89075521?
CID 89075521 has a molecular weight of 198.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89075521 is sourced from PubChem (CID 89075521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).