(2E,4E)-1-pent-2-ynoxyhexa-2,4-diene

C11H16O — CID 10583159

IUPAC(2E,4E)-1-pent-2-ynoxyhexa-2,4-diene
SMILESC/C=C/C=C/COCC#CCC
InChIInChI=1S/C11H16O/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9H,4,10-11H2,1-2H3/b5-3+,9-7+
InChIKeyVVEMERXYKOHMKY-WJDMQLPWSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds4

About (2E,4E)-1-pent-2-ynoxyhexa-2,4-diene

(2E,4E)-1-pent-2-ynoxyhexa-2,4-diene (PubChem CID 10583159) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2E,4E)-1-pent-2-ynoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1-pent-2-ynoxyhexa-2,4-diene
PubChem CID10583159
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2E,4E)-1-pent-2-ynoxyhexa-2,4-diene
SMILESC/C=C/C=C/COCC#CCC
InChIInChI=1S/C11H16O/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9H,4,10-11H2,1-2H3/b5-3+,9-7+
InChIKeyVVEMERXYKOHMKY-WJDMQLPWSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene
CID 11977314
[(E)-3-pent-2-ynoxyprop-1-enyl]benzene
CID 135079096
1-[(2E,4E)-hexa-2,4-dienoxy]octane
CID 122683183
(2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene
CID 88966150
(2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene
CID 100935806
(2E,4E)-1-pent-4-enoxyhexa-2,4-diene
CID 101180085
ethenyl-[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilane
CID 10910196
(Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene
CID 11074175
1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne
CID 11252648
2-hexa-2,4-dienoxypropanenitrile
CID 20981678
6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol
CID 10375034
(2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene
CID 13113516

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-pent-2-ynoxyhexa-2,4-diene?
The IUPAC name of (2E,4E)-1-pent-2-ynoxyhexa-2,4-diene (CID 10583159) is (2E,4E)-1-pent-2-ynoxyhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-1-pent-2-ynoxyhexa-2,4-diene?
The canonical SMILES for (2E,4E)-1-pent-2-ynoxyhexa-2,4-diene is C/C=C/C=C/COCC#CCC.
What is the InChIKey of (2E,4E)-1-pent-2-ynoxyhexa-2,4-diene?
The InChIKey is VVEMERXYKOHMKY-WJDMQLPWSA-N. The full InChI is InChI=1S/C11H16O/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9H,4,10-11H2,1-2H3/b5-3+,9-7+.
What are the key properties of (2E,4E)-1-pent-2-ynoxyhexa-2,4-diene?
(2E,4E)-1-pent-2-ynoxyhexa-2,4-diene has a molecular weight of 164.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-pent-2-ynoxyhexa-2,4-diene is sourced from PubChem (CID 10583159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).