(2Z,4E)-2-ethoxyhexa-2,4-diene

C8H14O — CID 5352778

IUPAC(2Z,4E)-2-ethoxyhexa-2,4-diene
SMILESC/C=C/C=C(/C)OCC
InChIInChI=1S/C8H14O/c1-4-6-7-8(3)9-5-2/h4,6-7H,5H2,1-3H3/b6-4+,8-7-
InChIKeySYZPTNQVXBBYES-AQXDOAQYSA-N
MW126.20 g/mol
LogP2.50
Rot. Bonds3

About (2Z,4E)-2-ethoxyhexa-2,4-diene

(2Z,4E)-2-ethoxyhexa-2,4-diene (PubChem CID 5352778) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2Z,4E)-2-ethoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-2-ethoxyhexa-2,4-diene
PubChem CID5352778
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2Z,4E)-2-ethoxyhexa-2,4-diene
SMILESC/C=C/C=C(/C)OCC
InChIInChI=1S/C8H14O/c1-4-6-7-8(3)9-5-2/h4,6-7H,5H2,1-3H3/b6-4+,8-7-
InChIKeySYZPTNQVXBBYES-AQXDOAQYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2,7-Dimethyloxepine
CID 578868
1-Methoxy-1,3-pentadiene
CID 6440221
2-Methyloxepin
CID 519274
Oxacyclotrideca-2,4,6,8,10,12-hexaene
CID 12242900
Ethyl 1-methylpropenyl ether
CID 12664944
3-Ethoxypenta-1,3-diene
CID 54545929
Pentadienyl ether
CID 57312775
Methoxyhexatriene
CID 85271706
(3E,5E)-3-fluoro-6-(3-methoxypropoxy)hepta-1,3,5-triene
CID 89318774
(3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene
CID 89442365
4-(2-Fluoroethoxy)penta-1,3-diene
CID 123196217
3-Ethoxy-2-fluorohexa-1,3,5-triene
CID 123454257

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-ethoxyhexa-2,4-diene?
The IUPAC name of (2Z,4E)-2-ethoxyhexa-2,4-diene (CID 5352778) is (2Z,4E)-2-ethoxyhexa-2,4-diene.
What is the SMILES notation for (2Z,4E)-2-ethoxyhexa-2,4-diene?
The canonical SMILES for (2Z,4E)-2-ethoxyhexa-2,4-diene is C/C=C/C=C(/C)OCC.
What is the InChIKey of (2Z,4E)-2-ethoxyhexa-2,4-diene?
The InChIKey is SYZPTNQVXBBYES-AQXDOAQYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-6-7-8(3)9-5-2/h4,6-7H,5H2,1-3H3/b6-4+,8-7-.
What are the key properties of (2Z,4E)-2-ethoxyhexa-2,4-diene?
(2Z,4E)-2-ethoxyhexa-2,4-diene has a molecular weight of 126.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-ethoxyhexa-2,4-diene is sourced from PubChem (CID 5352778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).