dimethyltin;prop-2-enal

C5H10OSn — CID 174610223

IUPACdimethyltin;prop-2-enal
SMILESC=CC=O.C[Sn]C
InChIInChI=1S/C3H4O.2CH3.Sn/c1-2-3-4;;;/h2-3H,1H2;2*1H3;
InChIKeyYEZDOCLVMWIARO-UHFFFAOYSA-N
MW204.84 g/mol
LogP1.16
Rot. Bonds1

About dimethyltin;prop-2-enal

dimethyltin;prop-2-enal (PubChem CID 174610223) has the molecular formula C5H10OSn and a molecular weight of 204.84 g/mol. Its IUPAC name is dimethyltin;prop-2-enal.

Molecular Properties

Compound Namedimethyltin;prop-2-enal
PubChem CID174610223
Molecular FormulaC5H10OSn
Molecular Weight204.84 g/mol
Exact Mass205.98
IUPAC Namedimethyltin;prop-2-enal
SMILESC=CC=O.C[Sn]C
InChIInChI=1S/C3H4O.2CH3.Sn/c1-2-3-4;;;/h2-3H,1H2;2*1H3;
InChIKeyYEZDOCLVMWIARO-UHFFFAOYSA-N
XLogP1.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.84
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

nickel;prop-2-enal
CID 57465256
prop-2-enal;hydrochloride
CID 140682111
bis(prop-2-enal);hydrate
CID 18686470
methane;prop-2-enal
CID 173485967
alumane;prop-2-enal
CID 174642654
ethene;prop-2-enal
CID 159863612
2-methylpropane;prop-2-enal
CID 174892552
methanol;prop-2-enal;hydrate
CID 88804900
3-methylbut-3-en-2-one;prop-2-enal
CID 118509414
acetaldehyde;buta-1,3-diene
CID 157419668
2-methyloxirane;prop-2-enal
CID 159099687
acetonitrile;propan-2-one;prop-2-enal
CID 87702978

Frequently Asked Questions

What is the IUPAC name of dimethyltin;prop-2-enal?
The IUPAC name of dimethyltin;prop-2-enal (CID 174610223) is dimethyltin;prop-2-enal.
What is the SMILES notation for dimethyltin;prop-2-enal?
The canonical SMILES for dimethyltin;prop-2-enal is C=CC=O.C[Sn]C.
What is the InChIKey of dimethyltin;prop-2-enal?
The InChIKey is YEZDOCLVMWIARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O.2CH3.Sn/c1-2-3-4;;;/h2-3H,1H2;2*1H3;.
What are the key properties of dimethyltin;prop-2-enal?
dimethyltin;prop-2-enal has a molecular weight of 204.84 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyltin;prop-2-enal is sourced from PubChem (CID 174610223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).