5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin

C24H37ClO2Sn — CID 140969094

IUPAC5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]C=C(C(=O)OCC)c1ccc(Cl)cc1
InChIInChI=1S/C13H27.C11H10ClO2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-14-11(13)8(2)9-4-6-10(12)7-5-9;/h4-12H2,1-3H3;2,4-7H,3H2,1H3;
InChIKeyLOCIBRWWEOOOIU-UHFFFAOYSA-N
MW511.72 g/mol
LogP7.68
Rot. Bonds14

About 5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin

5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin (PubChem CID 140969094) has the molecular formula C24H37ClO2Sn and a molecular weight of 511.72 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin
PubChem CID140969094
Molecular FormulaC24H37ClO2Sn
Molecular Weight511.72 g/mol
Exact Mass512.15
IUPAC Name5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]C=C(C(=O)OCC)c1ccc(Cl)cc1
InChIInChI=1S/C13H27.C11H10ClO2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-14-11(13)8(2)9-4-6-10(12)7-5-9;/h4-12H2,1-3H3;2,4-7H,3H2,1H3;
InChIKeyLOCIBRWWEOOOIU-UHFFFAOYSA-N
XLogP7.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.72
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin 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

ethyl 2-(4-chlorophenyl)-3-piperazin-1-ylprop-2-enoate
CID 56625336
5-butylnonan-5-yl-(4-ethoxycarbonylphenyl)tin
CID 141056830
ethyl (Z)-2-(4-chlorophenyl)-3-(4-hydroxyanilino)prop-2-enoate
CID 25111015
ethyl (Z)-2-(4-chlorophenyl)-3-(3,5-difluorophenoxy)prop-2-enoate
CID 139075648
ethyl 2-(4-chlorophenyl)-3-(3,5-difluorophenoxy)prop-2-enoate
CID 91293118
(Z)-2-(4-chlorophenyl)-4-ethoxy-4-oxobut-2-enoic acid
CID 141256904
ethyl (E)-2-(4-methylphenyl)but-2-enoate
CID 88506230
4-(4-Chlorophenyl)-2-hydroxy-4-oxo-but-2-enoic acid ethyl ester lithium salt
CID 86594818
ethyl (Z)-2-(4-nitrophenyl)hept-2-enoate
CID 56955228
ethyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
CID 71440543
ethyl (E)-2-[(4-chlorophenyl)methyl]-3-hydroxyprop-2-enoate
CID 10083032
ethyl 2-[(4-chlorophenyl)methylidene]butanoate
CID 67451347

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin?
The IUPAC name of 5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin (CID 140969094) is 5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin is CCCCC(CCCC)(CCCC)[Sn]C=C(C(=O)OCC)c1ccc(Cl)cc1.
What is the InChIKey of 5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin?
The InChIKey is LOCIBRWWEOOOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C11H10ClO2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-14-11(13)8(2)9-4-6-10(12)7-5-9;/h4-12H2,1-3H3;2,4-7H,3H2,1H3;.
What are the key properties of 5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin?
5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin has a molecular weight of 511.72 g/mol, XLogP of 7.68, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[2-(4-chlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]tin is sourced from PubChem (CID 140969094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).