3,4-diethoxyhexa-2,4-diene

C10H18O2 — CID 141009141

IUPAC3,4-diethoxyhexa-2,4-diene
SMILESCC=C(OCC)C(=CC)OCC
InChIInChI=1S/C10H18O2/c1-5-9(11-7-3)10(6-2)12-8-4/h5-6H,7-8H2,1-4H3
InChIKeyUJRFEYZOUDPRER-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.87
Rot. Bonds5

About 3,4-diethoxyhexa-2,4-diene

3,4-diethoxyhexa-2,4-diene (PubChem CID 141009141) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,4-diethoxyhexa-2,4-diene.

Molecular Properties

Compound Name3,4-diethoxyhexa-2,4-diene
PubChem CID141009141
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,4-diethoxyhexa-2,4-diene
SMILESCC=C(OCC)C(=CC)OCC
InChIInChI=1S/C10H18O2/c1-5-9(11-7-3)10(6-2)12-8-4/h5-6H,7-8H2,1-4H3
InChIKeyUJRFEYZOUDPRER-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

ethyl 2-methoxybut-2-enoate
CID 141457807
(E)-3-[(E)-1-ethoxyprop-1-enyl]hex-3-en-2-one
CID 144530003
3,4-dibutoxyhexa-2,4-diene
CID 141019728
ethyl 2-silyloxybut-2-enoate
CID 154172841
2-ethoxybut-2-ene;silane
CID 174428196
diethoxymethanimine;hydrochloride
CID 45074582
2-ethoxy-3-hydroxyprop-2-enoic acid
CID 150966454
[amino(ethoxy)methylidene]azanium
CID 51387632
(Z)-2-ethoxypent-2-enamide
CID 87204332
acetaldehyde;ethyl carbamate
CID 23340289
(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene
CID 143486696
(3E,5Z)-4-ethoxy-5-propan-2-ylhepta-1,3,5-triene
CID 144527546

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxyhexa-2,4-diene?
The IUPAC name of 3,4-diethoxyhexa-2,4-diene (CID 141009141) is 3,4-diethoxyhexa-2,4-diene.
What is the SMILES notation for 3,4-diethoxyhexa-2,4-diene?
The canonical SMILES for 3,4-diethoxyhexa-2,4-diene is CC=C(OCC)C(=CC)OCC.
What is the InChIKey of 3,4-diethoxyhexa-2,4-diene?
The InChIKey is UJRFEYZOUDPRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-9(11-7-3)10(6-2)12-8-4/h5-6H,7-8H2,1-4H3.
What are the key properties of 3,4-diethoxyhexa-2,4-diene?
3,4-diethoxyhexa-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 3,4-diethoxyhexa-2,4-diene is sourced from PubChem (CID 141009141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).