methyl (Z)-5-tributylstannylpent-2-en-4-ynoate

C18H32O2Sn — CID 177462533

IUPACmethyl (Z)-5-tributylstannylpent-2-en-4-ynoate
SMILESCCCC[Sn](C#C/C=C\C(=O)OC)(CCCC)CCCC
InChIInChI=1S/C6H5O2.3C4H9.Sn/c1-3-4-5-6(7)8-2;3*1-3-4-2;/h4-5H,2H3;3*1,3-4H2,2H3;/b5-4-;;;;
InChIKeyZLAJFXQPANDRBL-HCLDKOLZSA-N
MW399.16 g/mol
LogP5.11
Rot. Bonds10

About methyl (Z)-5-tributylstannylpent-2-en-4-ynoate

methyl (Z)-5-tributylstannylpent-2-en-4-ynoate (PubChem CID 177462533) has the molecular formula C18H32O2Sn and a molecular weight of 399.16 g/mol. Its IUPAC name is methyl (Z)-5-tributylstannylpent-2-en-4-ynoate.

Molecular Properties

Compound Namemethyl (Z)-5-tributylstannylpent-2-en-4-ynoate
PubChem CID177462533
Molecular FormulaC18H32O2Sn
Molecular Weight399.16 g/mol
Exact Mass400.14
IUPAC Namemethyl (Z)-5-tributylstannylpent-2-en-4-ynoate
SMILESCCCC[Sn](C#C/C=C\C(=O)OC)(CCCC)CCCC
InChIInChI=1S/C6H5O2.3C4H9.Sn/c1-3-4-5-6(7)8-2;3*1-3-4-2;/h4-5H,2H3;3*1,3-4H2,2H3;/b5-4-;;;;
InChIKeyZLAJFXQPANDRBL-HCLDKOLZSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.16
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-hydroxytetradec-2-en-4-ynoate
CID 23267308
methyl (E)-hept-2-enoate
CID 5368087
methyl (2E,6E)-8-oxonona-2,6-dien-4-ynoate
CID 12535674
methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate
CID 10747444
methyl (2Z,6E)-7-chlorohepta-2,6-dien-4-ynoate
CID 12031748
methyl (E)-3-oct-2-ynoxyprop-2-enoate
CID 54752149
bis(tributylstannyl) (Z)-but-2-enedioate
CID 16682777
methyl (E)-5-hydroxydec-2-enoate
CID 134979817
methyl (E)-4-hydroxyoct-2-enoate
CID 12872059
4-O-butylsilyl 1-O-methyl (E)-but-2-enedioate
CID 173066983
methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
methyl (4Z)-undeca-2,4-dienoate
CID 172824918

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-tributylstannylpent-2-en-4-ynoate?
The IUPAC name of methyl (Z)-5-tributylstannylpent-2-en-4-ynoate (CID 177462533) is methyl (Z)-5-tributylstannylpent-2-en-4-ynoate.
What is the SMILES notation for methyl (Z)-5-tributylstannylpent-2-en-4-ynoate?
The canonical SMILES for methyl (Z)-5-tributylstannylpent-2-en-4-ynoate is CCCC[Sn](C#C/C=C\C(=O)OC)(CCCC)CCCC.
What is the InChIKey of methyl (Z)-5-tributylstannylpent-2-en-4-ynoate?
The InChIKey is ZLAJFXQPANDRBL-HCLDKOLZSA-N. The full InChI is InChI=1S/C6H5O2.3C4H9.Sn/c1-3-4-5-6(7)8-2;3*1-3-4-2;/h4-5H,2H3;3*1,3-4H2,2H3;/b5-4-;;;;.
What are the key properties of methyl (Z)-5-tributylstannylpent-2-en-4-ynoate?
methyl (Z)-5-tributylstannylpent-2-en-4-ynoate has a molecular weight of 399.16 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-tributylstannylpent-2-en-4-ynoate is sourced from PubChem (CID 177462533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).