methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate

C32H66O2Sn2 — CID 10747444

IUPACmethyl (E)-7,7-bis(tributylstannyl)hept-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)C(CCC/C=C/C(=O)OC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H12O2.6C4H9.2Sn/c1-3-4-5-6-7-8(9)10-2;6*1-3-4-2;;/h1,6-7H,3-5H2,2H3;6*1,3-4H2,2H3;;/b7-6+;;;;;;;;
InChIKeyJGBNYRBZGDFJDM-GNHMDNPGSA-N
MW720.30 g/mol
LogP11.49
Rot. Bonds25

About methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate

methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate (PubChem CID 10747444) has the molecular formula C32H66O2Sn2 and a molecular weight of 720.30 g/mol. Its IUPAC name is methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate.

Molecular Properties

Compound Namemethyl (E)-7,7-bis(tributylstannyl)hept-2-enoate
PubChem CID10747444
Molecular FormulaC32H66O2Sn2
Molecular Weight720.30 g/mol
Exact Mass722.31
IUPAC Namemethyl (E)-7,7-bis(tributylstannyl)hept-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)C(CCC/C=C/C(=O)OC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H12O2.6C4H9.2Sn/c1-3-4-5-6-7-8(9)10-2;6*1-3-4-2;;/h1,6-7H,3-5H2,2H3;6*1,3-4H2,2H3;;/b7-6+;;;;;;;;
InChIKeyJGBNYRBZGDFJDM-GNHMDNPGSA-N
XLogP11.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.30
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-hept-2-enoate
CID 5368087
methyl (E)-7-hydroxyoct-2-enoate
CID 11062875
methyl (E)-7,8-dihydroxyoct-2-enoate
CID 15347118
carbon monoxide;iron;methyl (E)-octadec-2-enoate
CID 11080605
dimethyl (2E,14E)-8,9-dihydroxyhexadeca-2,14-dienedioate
CID 15695640
(Z)-hexadec-9-enal;methyl (2E,11Z)-octadeca-2,11-dienoate
CID 157382791
methyl (2E,8E)-undeca-2,8-dienoate
CID 102118335
methyl (E)-7-hydroxynon-2-en-8-ynoate
CID 102270556
methyl (Z)-6-chlorohex-2-enoate
CID 12741273
methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
methyl (E)-5-hydroxydec-2-enoate
CID 134979817
methyl (2E)-octadeca-2,17-dienoate
CID 11781391

Frequently Asked Questions

What is the IUPAC name of methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate?
The IUPAC name of methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate (CID 10747444) is methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate.
What is the SMILES notation for methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate?
The canonical SMILES for methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate is CCCC[Sn](CCCC)(CCCC)C(CCC/C=C/C(=O)OC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate?
The InChIKey is JGBNYRBZGDFJDM-GNHMDNPGSA-N. The full InChI is InChI=1S/C8H12O2.6C4H9.2Sn/c1-3-4-5-6-7-8(9)10-2;6*1-3-4-2;;/h1,6-7H,3-5H2,2H3;6*1,3-4H2,2H3;;/b7-6+;;;;;;;;.
What are the key properties of methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate?
methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate has a molecular weight of 720.30 g/mol, XLogP of 11.49, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate is sourced from PubChem (CID 10747444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).