stibanyl cyclohexene-1-carboxylate

C7H11O2Sb — CID 174261272

IUPACstibanyl cyclohexene-1-carboxylate
SMILESO=C(O[SbH2])C1=CCCCC1
InChIInChI=1S/C7H10O2.Sb.2H/c8-7(9)6-4-2-1-3-5-6;;;/h4H,1-3,5H2,(H,8,9);;;/q;+1;;/p-1
InChIKeyGKWWTIDHVBFIDY-UHFFFAOYSA-M
MW248.92 g/mol
LogP0.58
Rot. Bonds1

About stibanyl cyclohexene-1-carboxylate

stibanyl cyclohexene-1-carboxylate (PubChem CID 174261272) has the molecular formula C7H11O2Sb and a molecular weight of 248.92 g/mol. Its IUPAC name is stibanyl cyclohexene-1-carboxylate.

Molecular Properties

Compound Namestibanyl cyclohexene-1-carboxylate
PubChem CID174261272
Molecular FormulaC7H11O2Sb
Molecular Weight248.92 g/mol
Exact Mass247.98
IUPAC Namestibanyl cyclohexene-1-carboxylate
SMILESO=C(O[SbH2])C1=CCCCC1
InChIInChI=1S/C7H10O2.Sb.2H/c8-7(9)6-4-2-1-3-5-6;;;/h4H,1-3,5H2,(H,8,9);;;/q;+1;;/p-1
InChIKeyGKWWTIDHVBFIDY-UHFFFAOYSA-M
XLogP0.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.92
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze stibanyl cyclohexene-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl cyclododecene-1-carboxylate
CID 54564642
hydroxymethyl cyclohexene-1-carboxylate
CID 91001163
ethyl cycloundecene-1-carboxylate
CID 154164177
cyclopropyl cycloheptene-1-carboxylate
CID 130634533
2,2-dimethylpropanoyl cyclohexene-1-carboxylate
CID 101420959
cycloheptene-1-carboxamide
CID 22261654
2,3-dihydroxypropyl cyclodecene-1-carboxylate
CID 175925690
aluminum tris(cycloheptene-1-carboxylate)
CID 22604888
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
2-(cyclohexene-1-carbonyloxy)ethyl benzoate
CID 90721732
ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
CID 102299212
N,N-dimethylcyclohexene-1-carboxamide
CID 11019067

Frequently Asked Questions

What is the IUPAC name of stibanyl cyclohexene-1-carboxylate?
The IUPAC name of stibanyl cyclohexene-1-carboxylate (CID 174261272) is stibanyl cyclohexene-1-carboxylate.
What is the SMILES notation for stibanyl cyclohexene-1-carboxylate?
The canonical SMILES for stibanyl cyclohexene-1-carboxylate is O=C(O[SbH2])C1=CCCCC1.
What is the InChIKey of stibanyl cyclohexene-1-carboxylate?
The InChIKey is GKWWTIDHVBFIDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10O2.Sb.2H/c8-7(9)6-4-2-1-3-5-6;;;/h4H,1-3,5H2,(H,8,9);;;/q;+1;;/p-1.
What are the key properties of stibanyl cyclohexene-1-carboxylate?
stibanyl cyclohexene-1-carboxylate has a molecular weight of 248.92 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for stibanyl cyclohexene-1-carboxylate is sourced from PubChem (CID 174261272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).