CID 11557435

C7H15BOPS — CID 11557435

IUPAC—
SMILES[B-][P+](CC)(CC)CSC(C)=O
InChIInChI=1S/C7H15BOPS/c1-4-10(8,5-2)6-11-7(3)9/h4-6H2,1-3H3
InChIKeyUVIQYAYXKDUHDK-UHFFFAOYSA-N
MW189.05 g/mol
LogP2.36
Rot. Bonds4

About CID 11557435

CID 11557435 (PubChem CID 11557435) has the molecular formula C7H15BOPS and a molecular weight of 189.05 g/mol.

Molecular Properties

Compound NameCID 11557435
PubChem CID11557435
Molecular FormulaC7H15BOPS
Molecular Weight189.05 g/mol
Exact Mass189.07
IUPAC Name—
SMILES[B-][P+](CC)(CC)CSC(C)=O
InChIInChI=1S/C7H15BOPS/c1-4-10(8,5-2)6-11-7(3)9/h4-6H2,1-3H3
InChIKeyUVIQYAYXKDUHDK-UHFFFAOYSA-N
XLogP2.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.05
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11557435?
The IUPAC name of CID 11557435 (CID 11557435) is not available.
What is the SMILES notation for CID 11557435?
The canonical SMILES for CID 11557435 is [B-][P+](CC)(CC)CSC(C)=O.
What is the InChIKey of CID 11557435?
The InChIKey is UVIQYAYXKDUHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BOPS/c1-4-10(8,5-2)6-11-7(3)9/h4-6H2,1-3H3.
What are the key properties of CID 11557435?
CID 11557435 has a molecular weight of 189.05 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11557435 is sourced from PubChem (CID 11557435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).