methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate

C23H44O4Sn — CID 134865803

IUPACmethyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/CCOC1CCCCO1)C(=O)OC
InChIInChI=1S/C11H17O4.3C4H9.Sn/c1-13-10(12)6-2-4-8-14-11-7-3-5-9-15-11;3*1-3-4-2;/h2,11H,3-5,7-9H2,1H3;3*1,3-4H2,2H3;
InChIKeyIXBYXLPKGNQVIX-UHFFFAOYSA-N
MW503.31 g/mol
LogP6.41
Rot. Bonds15

About methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate

methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate (PubChem CID 134865803) has the molecular formula C23H44O4Sn and a molecular weight of 503.31 g/mol. Its IUPAC name is methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate
PubChem CID134865803
Molecular FormulaC23H44O4Sn
Molecular Weight503.31 g/mol
Exact Mass504.23
IUPAC Namemethyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/CCOC1CCCCO1)C(=O)OC
InChIInChI=1S/C11H17O4.3C4H9.Sn/c1-13-10(12)6-2-4-8-14-11-7-3-5-9-15-11;3*1-3-4-2;/h2,11H,3-5,7-9H2,1H3;3*1,3-4H2,2H3;
InChIKeyIXBYXLPKGNQVIX-UHFFFAOYSA-N
XLogP6.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.31
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-4-(oxan-2-yloxy)-3-tributylstannylbut-2-enoate
CID 11081459
methyl (Z,4S)-4-(oxan-2-yloxy)pent-2-enoate
CID 59560731
ethyl (Z)-2-fluoro-6-(oxan-2-yloxy)hex-2-enoate
CID 10825238
methyl (E,4S)-4-methyl-5-(oxan-2-yloxy)pent-2-enoate
CID 11481583
propan-2-yl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 14214411
methyl (E)-6-(oxan-2-yloxy)hex-2-enoate
CID 14462366
tert-butyl (E)-7-(oxan-2-yloxy)hept-2-enoate
CID 134859999
methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate
CID 134865802
methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate
CID 134972652
methyl (Z)-6-(oxan-2-yloxy)hex-2-enoate
CID 135039207
ethyl (Z)-2-fluoro-6-[(2R)-oxan-2-yl]oxyhex-2-enoate
CID 129363766
ethyl (Z)-2-fluoro-6-[(2S)-oxan-2-yl]oxyhex-2-enoate
CID 129363767

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate?
The IUPAC name of methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate (CID 134865803) is methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate.
What is the SMILES notation for methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate?
The canonical SMILES for methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate is CCCC[Sn](CCCC)(CCCC)/C(=C/CCOC1CCCCO1)C(=O)OC.
What is the InChIKey of methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate?
The InChIKey is IXBYXLPKGNQVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O4.3C4H9.Sn/c1-13-10(12)6-2-4-8-14-11-7-3-5-9-15-11;3*1-3-4-2;/h2,11H,3-5,7-9H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate?
methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate has a molecular weight of 503.31 g/mol, XLogP of 6.41, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate is sourced from PubChem (CID 134865803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).