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

C14H28O2 — CID 90935262

IUPAC5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene
SMILESCCOC(C=C(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/h10,12H,9H2,1-8H3
InChIKeyVFWUKMLMMGQHFD-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.01
Rot. Bonds4

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

5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene (PubChem CID 90935262) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene.

Molecular Properties

Compound Name5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene
PubChem CID90935262
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene
SMILESCCOC(C=C(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/h10,12H,9H2,1-8H3
InChIKeyVFWUKMLMMGQHFD-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'}

Analyze 5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1,1,1,2,2,3,3-heptafluoro-4,6-dimethoxy-7,7-dimethyloct-4-ene
CID 90936357
1-Fluoro-5,5-dimethyl-3-propan-2-yloxycyclohexa-1,3-diene
CID 156227264
1,3-Diethoxy-2,5,5-trimethyl-1,3-cyclohexadiene
CID 12476498
4-Methoxy-2,5,5-trimethylhex-2-ene
CID 15350710
2,6-Di-tert-butylpyran
CID 18671210
(2S,5S)-2-tert-butyl-5-ethyl-2,5-dihydrofuran
CID 57959735
2,5-Ditert-butyl-2,5-dihydrofuran
CID 59503420
(Z)-3,5-dimethoxy-2,2,6,6-tetramethylhept-3-ene
CID 59561715
3,5-Dimethoxy-2,2,6,6-tetramethylhept-3-ene
CID 72326599
2,5,5-Trimethyl-4-(2-methylpropoxy)hex-2-ene
CID 87152767
(Z)-5-methoxy-2,2,6,6-tetramethylhept-3-en-3-ol
CID 89014111
4-Ethoxy-2-methoxypent-2-ene
CID 91191675

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene?
The IUPAC name of 5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene (CID 90935262) is 5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene.
What is the SMILES notation for 5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene?
The canonical SMILES for 5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene is CCOC(C=C(OC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene?
The InChIKey is VFWUKMLMMGQHFD-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/h10,12H,9H2,1-8H3.
What are the key properties of 5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene?
5-ethoxy-3-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 5-ethoxy-3-methoxy-2,2,6,6-tetramethylhept-3-ene is sourced from PubChem (CID 90935262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).