CID 88930446

C8H15BOS — CID 88930446

IUPAC—
SMILES[B][C@H]1CC(C)[C@](CC)(CS)O1
InChIInChI=1S/C8H15BOS/c1-3-8(5-11)6(2)4-7(9)10-8/h6-7,11H,3-5H2,1-2H3/t6?,7-,8+/m1/s1
InChIKeyYLJDFHMANSPMTR-VVXQKDJTSA-N
MW170.09 g/mol
LogP1.62
Rot. Bonds2

About CID 88930446

CID 88930446 (PubChem CID 88930446) has the molecular formula C8H15BOS and a molecular weight of 170.09 g/mol.

Molecular Properties

Compound NameCID 88930446
PubChem CID88930446
Molecular FormulaC8H15BOS
Molecular Weight170.09 g/mol
Exact Mass170.09
IUPAC Name—
SMILES[B][C@H]1CC(C)[C@](CC)(CS)O1
InChIInChI=1S/C8H15BOS/c1-3-8(5-11)6(2)4-7(9)10-8/h6-7,11H,3-5H2,1-2H3/t6?,7-,8+/m1/s1
InChIKeyYLJDFHMANSPMTR-VVXQKDJTSA-N
XLogP1.62
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.09
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88930446?
The IUPAC name of CID 88930446 (CID 88930446) is not available.
What is the SMILES notation for CID 88930446?
The canonical SMILES for CID 88930446 is [B][C@H]1CC(C)[C@](CC)(CS)O1.
What is the InChIKey of CID 88930446?
The InChIKey is YLJDFHMANSPMTR-VVXQKDJTSA-N. The full InChI is InChI=1S/C8H15BOS/c1-3-8(5-11)6(2)4-7(9)10-8/h6-7,11H,3-5H2,1-2H3/t6?,7-,8+/m1/s1.
What are the key properties of CID 88930446?
CID 88930446 has a molecular weight of 170.09 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88930446 is sourced from PubChem (CID 88930446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).