methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate

C35H70O4Sn2 — CID 134865802

IUPACmethyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(CCOC1CCCCO1)=C(/C(=O)OC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H16O4.6C4H9.2Sn/c1-13-10(12)6-2-4-8-14-11-7-3-5-9-15-11;6*1-3-4-2;;/h11H,3-5,7-9H2,1H3;6*1,3-4H2,2H3;;
InChIKeyLFJXLDCEZORMSW-UHFFFAOYSA-N
MW792.36 g/mol
LogP11.17
Rot. Bonds25

About methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate

methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate (PubChem CID 134865802) has the molecular formula C35H70O4Sn2 and a molecular weight of 792.36 g/mol. Its IUPAC name is methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate
PubChem CID134865802
Molecular FormulaC35H70O4Sn2
Molecular Weight792.36 g/mol
Exact Mass794.33
IUPAC Namemethyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(CCOC1CCCCO1)=C(/C(=O)OC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H16O4.6C4H9.2Sn/c1-13-10(12)6-2-4-8-14-11-7-3-5-9-15-11;6*1-3-4-2;;/h11H,3-5,7-9H2,1H3;6*1,3-4H2,2H3;;
InChIKeyLFJXLDCEZORMSW-UHFFFAOYSA-N
XLogP11.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.36
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-4-(oxan-2-yloxy)-2,3-bis(tributylstannyl)but-2-enoate
CID 10676696
methyl (E)-5-(oxan-2-yloxy)-2-tributylstannylpent-2-enoate
CID 134865803
methyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 5962826
ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 15839787
Methyl 5-(oxan-2-yloxy)pent-2-enoate
CID 319947
lithium ethyl (2E)-8-(oxan-2-yloxy)-6-tributylstannylocta-2,6-dienoate
CID 10053610
ethyl (2E)-8-(oxan-2-yloxy)-6-tributylstannylocta-2,6-dienoate
CID 10053611
methyl (Z)-2,3-dimethyl-5-(oxan-2-yloxy)pent-2-enoate
CID 10354383
ethyl (2E,6E,10E)-3,11,15-trimethyl-7-(oxan-2-yloxymethyl)hexadeca-2,6,10,14-tetraenoate
CID 11177980
methyl (2E,6E,10E)-3,7,15-trimethyl-11-(oxan-2-yloxymethyl)hexadeca-2,6,10,14-tetraenoate
CID 11293015
methyl (2E,5R,6E)-5-(oxan-2-yloxy)-7-tributylstannylhepta-2,6-dienoate
CID 71484355
methyl (E)-5-[(2S)-oxan-2-yl]oxypent-2-enoate
CID 92144840

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate?
The IUPAC name of methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate (CID 134865802) is methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate.
What is the SMILES notation for methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate?
The canonical SMILES for methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate is CCCC[Sn](CCCC)(CCCC)/C(CCOC1CCCCO1)=C(/C(=O)OC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate?
The InChIKey is LFJXLDCEZORMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4.6C4H9.2Sn/c1-13-10(12)6-2-4-8-14-11-7-3-5-9-15-11;6*1-3-4-2;;/h11H,3-5,7-9H2,1H3;6*1,3-4H2,2H3;;.
What are the key properties of methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate?
methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate has a molecular weight of 792.36 g/mol, XLogP of 11.17, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-(oxan-2-yloxy)-2,3-bis(tributylstannyl)pent-2-enoate is sourced from PubChem (CID 134865802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).