3-ethenyl-2-ethoxyhexa-1,3-diene

C10H16O — CID 123543199

IUPAC3-ethenyl-2-ethoxyhexa-1,3-diene
SMILESC=CC(=CCC)C(=C)OCC
InChIInChI=1S/C10H16O/c1-5-8-10(6-2)9(4)11-7-3/h6,8H,2,4-5,7H2,1,3H3
InChIKeyBBCIJUVPTOWLEQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.06
Rot. Bonds5

About 3-ethenyl-2-ethoxyhexa-1,3-diene

3-ethenyl-2-ethoxyhexa-1,3-diene (PubChem CID 123543199) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-ethenyl-2-ethoxyhexa-1,3-diene.

Molecular Properties

Compound Name3-ethenyl-2-ethoxyhexa-1,3-diene
PubChem CID123543199
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-ethenyl-2-ethoxyhexa-1,3-diene
SMILESC=CC(=CCC)C(=C)OCC
InChIInChI=1S/C10H16O/c1-5-8-10(6-2)9(4)11-7-3/h6,8H,2,4-5,7H2,1,3H3
InChIKeyBBCIJUVPTOWLEQ-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.06
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

ethane;2-ethoxy-3-methylbuta-1,3-diene
CID 144636668
ethane;methyl (E)-2-ethenylpent-2-enoate
CID 142289174
(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene
CID 145153838
2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate
CID 174581308
ethyl 2-ethenylbut-2-enoate
CID 123198246
(E)-3-ethenyl-2-oxohex-3-enal
CID 143240518
(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene
CID 145009677
2-chloro-3-ethoxybuta-1,3-diene
CID 102247502
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
(E)-2-ethenyl-N-ethylpent-2-enamide
CID 156641185
(3E)-4-ethoxy-2-fluoro-3-methylhexa-1,3,5-triene
CID 145340423
ethyl acetate;prop-2-enoic acid
CID 87362107

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-ethoxyhexa-1,3-diene?
The IUPAC name of 3-ethenyl-2-ethoxyhexa-1,3-diene (CID 123543199) is 3-ethenyl-2-ethoxyhexa-1,3-diene.
What is the SMILES notation for 3-ethenyl-2-ethoxyhexa-1,3-diene?
The canonical SMILES for 3-ethenyl-2-ethoxyhexa-1,3-diene is C=CC(=CCC)C(=C)OCC.
What is the InChIKey of 3-ethenyl-2-ethoxyhexa-1,3-diene?
The InChIKey is BBCIJUVPTOWLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5-8-10(6-2)9(4)11-7-3/h6,8H,2,4-5,7H2,1,3H3.
What are the key properties of 3-ethenyl-2-ethoxyhexa-1,3-diene?
3-ethenyl-2-ethoxyhexa-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-ethoxyhexa-1,3-diene is sourced from PubChem (CID 123543199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).