(4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene

C13H24O2 — CID 88835559

IUPAC(4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene
SMILESCC=C(/C=C\CC(C)C)C(OC)OCC
InChIInChI=1S/C13H24O2/c1-6-12(10-8-9-11(3)4)13(14-5)15-7-2/h6,8,10-11,13H,7,9H2,1-5H3/b10-8-,12-6?
InChIKeyKCVDZOLPMTUPII-IFMDALDOSA-N
MW212.33 g/mol
LogP3.54
Rot. Bonds7

About (4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene

(4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene (PubChem CID 88835559) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene.

Molecular Properties

Compound Name(4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene
PubChem CID88835559
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene
SMILESCC=C(/C=C\CC(C)C)C(OC)OCC
InChIInChI=1S/C13H24O2/c1-6-12(10-8-9-11(3)4)13(14-5)15-7-2/h6,8,10-11,13H,7,9H2,1-5H3/b10-8-,12-6?
InChIKeyKCVDZOLPMTUPII-IFMDALDOSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene?
The IUPAC name of (4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene (CID 88835559) is (4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene.
What is the SMILES notation for (4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene?
The canonical SMILES for (4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene is CC=C(/C=C\CC(C)C)C(OC)OCC.
What is the InChIKey of (4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene?
The InChIKey is KCVDZOLPMTUPII-IFMDALDOSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-12(10-8-9-11(3)4)13(14-5)15-7-2/h6,8,10-11,13H,7,9H2,1-5H3/b10-8-,12-6?.
What are the key properties of (4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene?
(4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene has a molecular weight of 212.33 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-[ethoxy(methoxy)methyl]-7-methylocta-2,4-diene is sourced from PubChem (CID 88835559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).