methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate

C10H18O2Sn — CID 11266228

IUPACmethyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate
SMILESCOC(=O)/C=C/C(C)=C\[Sn](C)(C)C
InChIInChI=1S/C7H9O2.3CH3.Sn/c1-6(2)4-5-7(8)9-3;;;;/h1,4-5H,2-3H3;3*1H3;/b5-4+,6-1?;;;;
InChIKeyYAYQRTHFDFUTQJ-DOWNOIIESA-N
MW288.96 g/mol
LogP2.54
Rot. Bonds3

About methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate

methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate (PubChem CID 11266228) has the molecular formula C10H18O2Sn and a molecular weight of 288.96 g/mol. Its IUPAC name is methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate
PubChem CID11266228
Molecular FormulaC10H18O2Sn
Molecular Weight288.96 g/mol
Exact Mass290.03
IUPAC Namemethyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate
SMILESCOC(=O)/C=C/C(C)=C\[Sn](C)(C)C
InChIInChI=1S/C7H9O2.3CH3.Sn/c1-6(2)4-5-7(8)9-3;;;;/h1,4-5H,2-3H3;3*1H3;/b5-4+,6-1?;;;;
InChIKeyYAYQRTHFDFUTQJ-DOWNOIIESA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.96
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bixin
CID 5281226
Methyl geranate
CID 5365910
Hexenyl tiglate, (3Z)-
CID 15461361
Methyl 2,4-decadienoate, (2E,4Z)-
CID 6436336
1-Methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-2,4,6,8,10,12,14,16,18-eicosanonaenedioate
CID 6376436
Ethyl 2,4,7-decatrienoate
CID 3018771
(,E)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
CID 5980396
Methyl nerate
CID 5365912
2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2Z)-
CID 16220109
2-Hexenoic acid, 2-methyl-, methyl ester, (2E)-
CID 5364816
Methyl 3,7-dimethylocta-2,6-dienoate
CID 70917
2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, dimethyl ester, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-
CID 14413719

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate?
The IUPAC name of methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate (CID 11266228) is methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate?
The canonical SMILES for methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate is COC(=O)/C=C/C(C)=C\[Sn](C)(C)C.
What is the InChIKey of methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate?
The InChIKey is YAYQRTHFDFUTQJ-DOWNOIIESA-N. The full InChI is InChI=1S/C7H9O2.3CH3.Sn/c1-6(2)4-5-7(8)9-3;;;;/h1,4-5H,2-3H3;3*1H3;/b5-4+,6-1?;;;;.
What are the key properties of methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate?
methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate has a molecular weight of 288.96 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4Z)-4-methyl-5-trimethylstannylpenta-2,4-dienoate is sourced from PubChem (CID 11266228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).