3-[ethoxy(methoxy)methyl]hexa-2,4-diene

C10H18O2 — CID 173460138

IUPAC3-[ethoxy(methoxy)methyl]hexa-2,4-diene
SMILESCC=CC(=CC)C(OC)OCC
InChIInChI=1S/C10H18O2/c1-5-8-9(6-2)10(11-4)12-7-3/h5-6,8,10H,7H2,1-4H3
InChIKeyJGKZBKHGYZNFFM-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds5

About 3-[ethoxy(methoxy)methyl]hexa-2,4-diene

3-[ethoxy(methoxy)methyl]hexa-2,4-diene (PubChem CID 173460138) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-[ethoxy(methoxy)methyl]hexa-2,4-diene.

Molecular Properties

Compound Name3-[ethoxy(methoxy)methyl]hexa-2,4-diene
PubChem CID173460138
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-[ethoxy(methoxy)methyl]hexa-2,4-diene
SMILESCC=CC(=CC)C(OC)OCC
InChIInChI=1S/C10H18O2/c1-5-8-9(6-2)10(11-4)12-7-3/h5-6,8,10H,7H2,1-4H3
InChIKeyJGKZBKHGYZNFFM-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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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Related Compounds

(4Z)-3-(dimethoxymethyl)hepta-2,4-diene
CID 152757472
(Z)-5-ethyl-4-ethylidenehept-2-ene
CID 58547926
2-ethoxy-2-methoxyacetamide
CID 54503538
(2E,5E)-7-ethoxyocta-2,5-dien-4-one
CID 10352079
propyl 2-ethoxy-2-methoxyacetate
CID 139936525
but-2-ene;ethanol;2-ethoxybutane
CID 173137452
[ethoxy(methoxy)methoxy]ethane
CID 20564684
(3E)-3-(1-ethoxyethyl)penta-1,3-diene
CID 143486884
(4S)-2-ethoxy-4-methoxypentane
CID 88970287
2,2-diethoxy-1-methoxyethanol
CID 123958282
CID 159597367
CID 159597367
3-chloro-1,1-diethoxypropan-2-one
CID 10921139

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(methoxy)methyl]hexa-2,4-diene?
The IUPAC name of 3-[ethoxy(methoxy)methyl]hexa-2,4-diene (CID 173460138) is 3-[ethoxy(methoxy)methyl]hexa-2,4-diene.
What is the SMILES notation for 3-[ethoxy(methoxy)methyl]hexa-2,4-diene?
The canonical SMILES for 3-[ethoxy(methoxy)methyl]hexa-2,4-diene is CC=CC(=CC)C(OC)OCC.
What is the InChIKey of 3-[ethoxy(methoxy)methyl]hexa-2,4-diene?
The InChIKey is JGKZBKHGYZNFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-8-9(6-2)10(11-4)12-7-3/h5-6,8,10H,7H2,1-4H3.
What are the key properties of 3-[ethoxy(methoxy)methyl]hexa-2,4-diene?
3-[ethoxy(methoxy)methyl]hexa-2,4-diene has a molecular weight of 170.25 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(methoxy)methyl]hexa-2,4-diene is sourced from PubChem (CID 173460138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).