methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate

C13H24O2Sn — CID 10830321

IUPACmethyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate
SMILESCCC(C(=O)OC)C(=C=C(C)C)[Sn](C)(C)C
InChIInChI=1S/C10H15O2.3CH3.Sn/c1-5-9(10(11)12-4)7-6-8(2)3;;;;/h9H,5H2,1-4H3;3*1H3;
InChIKeyYOTFRJCYIYNWBI-UHFFFAOYSA-N
MW331.04 g/mol
LogP3.55
Rot. Bonds4

About methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate

methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate (PubChem CID 10830321) has the molecular formula C13H24O2Sn and a molecular weight of 331.04 g/mol. Its IUPAC name is methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate
PubChem CID10830321
Molecular FormulaC13H24O2Sn
Molecular Weight331.04 g/mol
Exact Mass332.08
IUPAC Namemethyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate
SMILESCCC(C(=O)OC)C(=C=C(C)C)[Sn](C)(C)C
InChIInChI=1S/C10H15O2.3CH3.Sn/c1-5-9(10(11)12-4)7-6-8(2)3;;;;/h9H,5H2,1-4H3;3*1H3;
InChIKeyYOTFRJCYIYNWBI-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.04
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate 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

1-O-ethyl 3-O-methyl (2S)-2-ethylpropanedioate
CID 34173637
2-methoxycarbonylbutanoyl(methylidene)oxidanium
CID 140666434
dimethyl (2R,4R)-2,4-diacetylpentanedioate
CID 131845070
1-O-ethoxycarbonyl 3-O-methyl 2-ethylpropanedioate
CID 174658003
dimethyl (Z)-2-ethyl-3-hydroxy-5-oxohept-3-enedioate
CID 54771871
methyl 2-ethyl-4-methylsulfonyl-3-oxobutanoate
CID 114998881
methyl 2-acetyloctadecanoate
CID 88766742
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
dimethyl 2-dodecylpropanedioate
CID 158514957
methyl 2-acetyl-4-methylideneheptanoate
CID 14194541
methyl 2-ethyl-4-methoxy-4-methyl-3-oxohexanoate
CID 116774833

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate?
The IUPAC name of methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate (CID 10830321) is methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate.
What is the SMILES notation for methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate?
The canonical SMILES for methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate is CCC(C(=O)OC)C(=C=C(C)C)[Sn](C)(C)C.
What is the InChIKey of methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate?
The InChIKey is YOTFRJCYIYNWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O2.3CH3.Sn/c1-5-9(10(11)12-4)7-6-8(2)3;;;;/h9H,5H2,1-4H3;3*1H3;.
What are the key properties of methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate?
methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate has a molecular weight of 331.04 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-methyl-3-trimethylstannylhexa-3,4-dienoate is sourced from PubChem (CID 10830321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).