CID 88561009

C9H17BOS — CID 88561009

IUPAC—
SMILES[B][C@H]1CC(C)[C@](CC)(CSC)O1
InChIInChI=1S/C9H17BOS/c1-4-9(6-12-3)7(2)5-8(10)11-9/h7-8H,4-6H2,1-3H3/t7?,8-,9+/m1/s1
InChIKeyLWTPFLZAEHUHSH-ASODMVGOSA-N
MW184.11 g/mol
LogP2.05
Rot. Bonds3

About CID 88561009

CID 88561009 (PubChem CID 88561009) has the molecular formula C9H17BOS and a molecular weight of 184.11 g/mol.

Molecular Properties

Compound NameCID 88561009
PubChem CID88561009
Molecular FormulaC9H17BOS
Molecular Weight184.11 g/mol
Exact Mass184.11
IUPAC Name—
SMILES[B][C@H]1CC(C)[C@](CC)(CSC)O1
InChIInChI=1S/C9H17BOS/c1-4-9(6-12-3)7(2)5-8(10)11-9/h7-8H,4-6H2,1-3H3/t7?,8-,9+/m1/s1
InChIKeyLWTPFLZAEHUHSH-ASODMVGOSA-N
XLogP2.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 88561009?
The IUPAC name of CID 88561009 (CID 88561009) is not available.
What is the SMILES notation for CID 88561009?
The canonical SMILES for CID 88561009 is [B][C@H]1CC(C)[C@](CC)(CSC)O1.
What is the InChIKey of CID 88561009?
The InChIKey is LWTPFLZAEHUHSH-ASODMVGOSA-N. The full InChI is InChI=1S/C9H17BOS/c1-4-9(6-12-3)7(2)5-8(10)11-9/h7-8H,4-6H2,1-3H3/t7?,8-,9+/m1/s1.
What are the key properties of CID 88561009?
CID 88561009 has a molecular weight of 184.11 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88561009 is sourced from PubChem (CID 88561009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).