[(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane

C13H26GeO — CID 11630412

IUPAC[(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane
SMILESC=C/C(C)=C(/OCC)[Ge](CC)(CC)CC
InChIInChI=1S/C13H26GeO/c1-7-12(6)13(15-11-5)14(8-2,9-3)10-4/h7H,1,8-11H2,2-6H3/b13-12+
InChIKeyWYNMYZBANXZWFY-OUKQBFOZSA-N
MW270.96 g/mol
LogP4.53
Rot. Bonds7

About [(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane

[(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane (PubChem CID 11630412) has the molecular formula C13H26GeO and a molecular weight of 270.96 g/mol. Its IUPAC name is [(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane.

Molecular Properties

Compound Name[(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane
PubChem CID11630412
Molecular FormulaC13H26GeO
Molecular Weight270.96 g/mol
Exact Mass272.12
IUPAC Name[(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane
SMILESC=C/C(C)=C(/OCC)[Ge](CC)(CC)CC
InChIInChI=1S/C13H26GeO/c1-7-12(6)13(15-11-5)14(8-2,9-3)10-4/h7H,1,8-11H2,2-6H3/b13-12+
InChIKeyWYNMYZBANXZWFY-OUKQBFOZSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.96
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxy-2-methylbuta-1,3-diene
CID 19609192
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
ethene;ethyl prop-2-enoate;urea
CID 22098038
ethyl acetate;prop-2-enoic acid
CID 87362107
potassium (3Z)-5-ethoxy-5-oxopenta-1,3-dien-3-olate
CID 23698904
lithium (3Z)-5-ethoxy-5-oxopenta-1,3-dien-3-olate
CID 23698905
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
3,4-dimethylpenta-1,3-diene
CID 6713443

Frequently Asked Questions

What is the IUPAC name of [(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane?
The IUPAC name of [(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane (CID 11630412) is [(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane.
What is the SMILES notation for [(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane?
The canonical SMILES for [(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane is C=C/C(C)=C(/OCC)[Ge](CC)(CC)CC.
What is the InChIKey of [(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane?
The InChIKey is WYNMYZBANXZWFY-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H26GeO/c1-7-12(6)13(15-11-5)14(8-2,9-3)10-4/h7H,1,8-11H2,2-6H3/b13-12+.
What are the key properties of [(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane?
[(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane has a molecular weight of 270.96 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane is sourced from PubChem (CID 11630412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).