ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate

C16H34O4Sn2 — CID 10602226

IUPACethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate
SMILESCCOC(=O)/C(=C(\CCCOCOC)[Sn](C)(C)C)[Sn](C)(C)C
InChIInChI=1S/C10H16O4.6CH3.2Sn/c1-3-14-10(11)7-5-4-6-8-13-9-12-2;;;;;;;;/h3-4,6,8-9H2,1-2H3;6*1H3;;
InChIKeyGAXZFEMNJYXHPQ-UHFFFAOYSA-N
MW527.87 g/mol
LogP4.00
Rot. Bonds10

About ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate

ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate (PubChem CID 10602226) has the molecular formula C16H34O4Sn2 and a molecular weight of 527.87 g/mol. Its IUPAC name is ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate
PubChem CID10602226
Molecular FormulaC16H34O4Sn2
Molecular Weight527.87 g/mol
Exact Mass530.05
IUPAC Nameethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate
SMILESCCOC(=O)/C(=C(\CCCOCOC)[Sn](C)(C)C)[Sn](C)(C)C
InChIInChI=1S/C10H16O4.6CH3.2Sn/c1-3-14-10(11)7-5-4-6-8-13-9-12-2;;;;;;;;/h3-4,6,8-9H2,1-2H3;6*1H3;;
InChIKeyGAXZFEMNJYXHPQ-UHFFFAOYSA-N
XLogP4.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.87
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-5-chloro-2,3-bis(trimethylstannyl)pent-2-enoate
CID 10672626
ethyl 2-(methoxymethoxymethyl)prop-2-enoate
CID 15153939
ethyl 3-bromo-2-(methoxymethoxymethyl)prop-2-enoate
CID 123837396
1-O-ethyl 5-O-(methoxymethyl) pentanedioate
CID 174421826
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
CID 159370772
CID 159370772
ethyl 3-(2-methoxyethoxy)propyl carbonate
CID 87247585
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
bis[4-(methoxymethoxy)butyl] sulfate
CID 139845452
diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane
CID 173106859
ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
CID 103176658

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate?
The IUPAC name of ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate (CID 10602226) is ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate.
What is the SMILES notation for ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate?
The canonical SMILES for ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate is CCOC(=O)/C(=C(\CCCOCOC)[Sn](C)(C)C)[Sn](C)(C)C.
What is the InChIKey of ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate?
The InChIKey is GAXZFEMNJYXHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4.6CH3.2Sn/c1-3-14-10(11)7-5-4-6-8-13-9-12-2;;;;;;;;/h3-4,6,8-9H2,1-2H3;6*1H3;;.
What are the key properties of ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate?
ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate has a molecular weight of 527.87 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-6-(methoxymethoxy)-2,3-bis(trimethylstannyl)hex-2-enoate is sourced from PubChem (CID 10602226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).