3-ethoxy-4-methoxyhepta-2,4-diene

C10H18O2 — CID 123324198

IUPAC3-ethoxy-4-methoxyhepta-2,4-diene
SMILESCC=C(OCC)C(=CCC)OC
InChIInChI=1S/C10H18O2/c1-5-8-10(11-4)9(6-2)12-7-3/h6,8H,5,7H2,1-4H3
InChIKeyFTTNXAAJSBEPTA-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.87
Rot. Bonds5

About 3-ethoxy-4-methoxyhepta-2,4-diene

3-ethoxy-4-methoxyhepta-2,4-diene (PubChem CID 123324198) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-ethoxy-4-methoxyhepta-2,4-diene.

Molecular Properties

Compound Name3-ethoxy-4-methoxyhepta-2,4-diene
PubChem CID123324198
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-ethoxy-4-methoxyhepta-2,4-diene
SMILESCC=C(OCC)C(=CCC)OC
InChIInChI=1S/C10H18O2/c1-5-8-10(11-4)9(6-2)12-7-3/h6,8H,5,7H2,1-4H3
InChIKeyFTTNXAAJSBEPTA-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyran
CID 11458036
6-(3,4-dihydro-2H-pyran-6-yl)-3,4-dihydro-2H-pyran
CID 3505654
(2S)-2-methyl-6-[(2S)-2-methyl-3,4-dihydro-2H-pyran-6-yl]-3,4-dihydro-2H-pyran
CID 10921415
3,4-Diethoxy-2-fluorohexa-2,4-diene
CID 123318263
(2E,4E)-3-ethoxy-4-fluorohepta-2,4-diene
CID 143532131
(3E,5Z)-3-(fluoromethyl)-4-(2-methoxyethoxy)octa-3,5-diene
CID 145498388
(2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene
CID 146304351
(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene
CID 155119673
6-(1-ethoxybuta-1,3-dienyl)-3,6-dihydro-2H-pyran
CID 91598969
(2R)-2-methyl-6-[(2R)-2-methyl-3,4-dihydro-2H-pyran-6-yl]-3,4-dihydro-2H-pyran
CID 162405266
(6,7,9,10,12,13,15,16-Octahydro-benzo-1,4,7,10,13-pentaoxacyclopentadecin)
CID 171855026
(3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene
CID 143869168

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxyhepta-2,4-diene?
The IUPAC name of 3-ethoxy-4-methoxyhepta-2,4-diene (CID 123324198) is 3-ethoxy-4-methoxyhepta-2,4-diene.
What is the SMILES notation for 3-ethoxy-4-methoxyhepta-2,4-diene?
The canonical SMILES for 3-ethoxy-4-methoxyhepta-2,4-diene is CC=C(OCC)C(=CCC)OC.
What is the InChIKey of 3-ethoxy-4-methoxyhepta-2,4-diene?
The InChIKey is FTTNXAAJSBEPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-8-10(11-4)9(6-2)12-7-3/h6,8H,5,7H2,1-4H3.
What are the key properties of 3-ethoxy-4-methoxyhepta-2,4-diene?
3-ethoxy-4-methoxyhepta-2,4-diene has a molecular weight of 170.25 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxyhepta-2,4-diene is sourced from PubChem (CID 123324198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).