methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate

C19H36O2Sn — CID 134940806

IUPACmethyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate
SMILESC/C=C\C=C(\C(=O)OC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H9O2.3C4H9.Sn/c1-3-4-5-6-7(8)9-2;3*1-3-4-2;/h3-5H,1-2H3;3*1,3-4H2,2H3;/b4-3-,6-5?;;;;
InChIKeyRWQLMFQLMDQZPL-ZMTYPOMCSA-N
MW415.21 g/mol
LogP6.05
Rot. Bonds12

About methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate

methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate (PubChem CID 134940806) has the molecular formula C19H36O2Sn and a molecular weight of 415.21 g/mol. Its IUPAC name is methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate
PubChem CID134940806
Molecular FormulaC19H36O2Sn
Molecular Weight415.21 g/mol
Exact Mass416.17
IUPAC Namemethyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate
SMILESC/C=C\C=C(\C(=O)OC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H9O2.3C4H9.Sn/c1-3-4-5-6-7(8)9-2;3*1-3-4-2;/h3-5H,1-2H3;3*1,3-4H2,2H3;/b4-3-,6-5?;;;;
InChIKeyRWQLMFQLMDQZPL-ZMTYPOMCSA-N
XLogP6.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.21
LogP ≤ 56.05
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

methyl (Z)-3-propanoyl-2-tributylstannyloct-2-enoate
CID 11454851
[dibutyl(propyl)stannyl]formic acid
CID 88843444
methyl (2Z,4E)-2-(2-methylidenebut-3-enyl)hexa-2,4-dienoate
CID 14531355
methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
CID 143172272
2-propylhexa-2,4-dieneperoxoic acid
CID 173280763
methyl (2E)-2-[(E)-but-2-enylidene]-7-oxoheptanoate
CID 11229573
methyl 2-prop-1-enyltrideca-2,4-dienoate
CID 175883901
(3E,5E)-3-ethoxycarbonylhepta-3,5-dienoic acid
CID 10703096
azane;methyl 2-ethylidenepentanoate
CID 175242663
dimethyl (Z)-2-tributylstannyl-3-(3,3,3-trifluoroprop-1-ynyl)but-2-enedioate
CID 171932379
diethyl (2E,4Z)-2-(furan-2-yl)-5-tributylstannylhexa-2,4-dienedioate
CID 177449750
methyl (Z)-5-tributylstannylpent-2-en-4-ynoate
CID 177462533

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate?
The IUPAC name of methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate (CID 134940806) is methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate.
What is the SMILES notation for methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate?
The canonical SMILES for methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate is C/C=C\C=C(\C(=O)OC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate?
The InChIKey is RWQLMFQLMDQZPL-ZMTYPOMCSA-N. The full InChI is InChI=1S/C7H9O2.3C4H9.Sn/c1-3-4-5-6-7(8)9-2;3*1-3-4-2;/h3-5H,1-2H3;3*1,3-4H2,2H3;/b4-3-,6-5?;;;;.
What are the key properties of methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate?
methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate has a molecular weight of 415.21 g/mol, XLogP of 6.05, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate is sourced from PubChem (CID 134940806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).