4-[(3E)-hexa-1,3,5-trien-3-yl]oxane

C11H16O — CID 143062740

IUPAC4-[(3E)-hexa-1,3,5-trien-3-yl]oxane
SMILESC=C/C=C(\C=C)C1CCOCC1
InChIInChI=1S/C11H16O/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-5,11H,1-2,6-9H2/b10-5+
InChIKeyWTEKLTXVLLLXOI-BJMVGYQFSA-N
MW164.25 g/mol
LogP2.71
Rot. Bonds3

About 4-[(3E)-hexa-1,3,5-trien-3-yl]oxane

4-[(3E)-hexa-1,3,5-trien-3-yl]oxane (PubChem CID 143062740) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-[(3E)-hexa-1,3,5-trien-3-yl]oxane.

Molecular Properties

Compound Name4-[(3E)-hexa-1,3,5-trien-3-yl]oxane
PubChem CID143062740
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-[(3E)-hexa-1,3,5-trien-3-yl]oxane
SMILESC=C/C=C(\C=C)C1CCOCC1
InChIInChI=1S/C11H16O/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-5,11H,1-2,6-9H2/b10-5+
InChIKeyWTEKLTXVLLLXOI-BJMVGYQFSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-fluoroprop-1-enyl]oxane
CID 135064441
4-[(E)-prop-1-enyl]oxane
CID 21691514
3,4,4a,5-tetrahydro-1H-isochromene
CID 54156082
Tetrahydrocyclopenta[c]pyran
CID 70142574
(E)-4-(3,3-dimethylbut-1-en-1-yl)tetrahydro-2H-pyran
CID 126642344
4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane
CID 167014378
Tetrahydrocyclohepta[c]pyran
CID 129867178
3,4,8,8a-tetrahydro-1H-isochromen-8-ylium
CID 146169253
(3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene
CID 142823394
4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane
CID 143270762
2-(3-Methoxypropyl)cyclohexa-1,3-diene
CID 14290347
3,4,4a,10a-tetrahydro-1H-benzo[g]isochromene
CID 54399020

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-hexa-1,3,5-trien-3-yl]oxane?
The IUPAC name of 4-[(3E)-hexa-1,3,5-trien-3-yl]oxane (CID 143062740) is 4-[(3E)-hexa-1,3,5-trien-3-yl]oxane.
What is the SMILES notation for 4-[(3E)-hexa-1,3,5-trien-3-yl]oxane?
The canonical SMILES for 4-[(3E)-hexa-1,3,5-trien-3-yl]oxane is C=C/C=C(\C=C)C1CCOCC1.
What is the InChIKey of 4-[(3E)-hexa-1,3,5-trien-3-yl]oxane?
The InChIKey is WTEKLTXVLLLXOI-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H16O/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-5,11H,1-2,6-9H2/b10-5+.
What are the key properties of 4-[(3E)-hexa-1,3,5-trien-3-yl]oxane?
4-[(3E)-hexa-1,3,5-trien-3-yl]oxane has a molecular weight of 164.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-hexa-1,3,5-trien-3-yl]oxane is sourced from PubChem (CID 143062740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).