2-methoxy-3-tributylstannylprop-2-enal

C16H32O2Sn — CID 173254861

IUPAC2-methoxy-3-tributylstannylprop-2-enal
SMILESCCCC[Sn](C=C(C=O)OC)(CCCC)CCCC
InChIInChI=1S/C4H5O2.3C4H9.Sn/c1-4(3-5)6-2;3*1-3-4-2;/h1,3H,2H3;3*1,3-4H2,2H3;
InChIKeyLXABMQSILJUBGG-UHFFFAOYSA-N
MW375.14 g/mol
LogP5.10
Rot. Bonds12

About 2-methoxy-3-tributylstannylprop-2-enal

2-methoxy-3-tributylstannylprop-2-enal (PubChem CID 173254861) has the molecular formula C16H32O2Sn and a molecular weight of 375.14 g/mol. Its IUPAC name is 2-methoxy-3-tributylstannylprop-2-enal.

Molecular Properties

Compound Name2-methoxy-3-tributylstannylprop-2-enal
PubChem CID173254861
Molecular FormulaC16H32O2Sn
Molecular Weight375.14 g/mol
Exact Mass376.14
IUPAC Name2-methoxy-3-tributylstannylprop-2-enal
SMILESCCCC[Sn](C=C(C=O)OC)(CCCC)CCCC
InChIInChI=1S/C4H5O2.3C4H9.Sn/c1-4(3-5)6-2;3*1-3-4-2;/h1,3H,2H3;3*1,3-4H2,2H3;
InChIKeyLXABMQSILJUBGG-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.14
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methoxy-3-tributylstannylprop-2-enal 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

(Z)-2-iodo-3-tributylstannylprop-2-enoic acid
CID 139263815
ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate
CID 134904819
dimethyl 2-[(E)-3-tributylstannylprop-2-enyl]propanedioate
CID 177384195
methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate
CID 139263828
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
(E)-4-tributylstannylbut-3-enoic acid
CID 11767530
(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide
CID 19785799
(E)-4-hydroxy-2-methoxybut-2-enal
CID 169489124
methyl (Z)-5-tributylstannylpent-2-en-4-ynoate
CID 177462533
3-(dibutylamino)oxy-N-oxaldehydoylpropanamide
CID 137428149
(4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 173361577
(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 14248080

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-tributylstannylprop-2-enal?
The IUPAC name of 2-methoxy-3-tributylstannylprop-2-enal (CID 173254861) is 2-methoxy-3-tributylstannylprop-2-enal.
What is the SMILES notation for 2-methoxy-3-tributylstannylprop-2-enal?
The canonical SMILES for 2-methoxy-3-tributylstannylprop-2-enal is CCCC[Sn](C=C(C=O)OC)(CCCC)CCCC.
What is the InChIKey of 2-methoxy-3-tributylstannylprop-2-enal?
The InChIKey is LXABMQSILJUBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O2.3C4H9.Sn/c1-4(3-5)6-2;3*1-3-4-2;/h1,3H,2H3;3*1,3-4H2,2H3;.
What are the key properties of 2-methoxy-3-tributylstannylprop-2-enal?
2-methoxy-3-tributylstannylprop-2-enal has a molecular weight of 375.14 g/mol, XLogP of 5.10, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-tributylstannylprop-2-enal is sourced from PubChem (CID 173254861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).