3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene

C14H28O2 — CID 123921330

IUPAC3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene
SMILESCCOC(=CC(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-9-16-12(14(5,6)7)10-11(15-8)13(2,3)4/h10-11H,9H2,1-8H3
InChIKeyZBCUCHSONSMFBP-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.01
Rot. Bonds4

About 3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene

3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene (PubChem CID 123921330) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene.

Molecular Properties

Compound Name3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene
PubChem CID123921330
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene
SMILESCCOC(=CC(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-9-16-12(14(5,6)7)10-11(15-8)13(2,3)4/h10-11H,9H2,1-8H3
InChIKeyZBCUCHSONSMFBP-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene?
The IUPAC name of 3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene (CID 123921330) is 3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene.
What is the SMILES notation for 3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene?
The canonical SMILES for 3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene is CCOC(=CC(OC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene?
The InChIKey is ZBCUCHSONSMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-9-16-12(14(5,6)7)10-11(15-8)13(2,3)4/h10-11H,9H2,1-8H3.
What are the key properties of 3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene?
3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene has a molecular weight of 228.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methoxy-2,2,6,6-tetramethylhept-3-ene is sourced from PubChem (CID 123921330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).