1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane

C14H22O2 — CID 154973670

IUPAC1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane
SMILESC=C/C=C\C(=C)OC(C)OC1CCCCC1
InChIInChI=1S/C14H22O2/c1-4-5-9-12(2)15-13(3)16-14-10-7-6-8-11-14/h4-5,9,13-14H,1-2,6-8,10-11H2,3H3/b9-5-
InChIKeyOIIPWWKTJSIXDJ-UITAMQMPSA-N
MW222.33 g/mol
LogP3.95
Rot. Bonds6

About 1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane

1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane (PubChem CID 154973670) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane.

Molecular Properties

Compound Name1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane
PubChem CID154973670
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane
SMILESC=C/C=C\C(=C)OC(C)OC1CCCCC1
InChIInChI=1S/C14H22O2/c1-4-5-9-12(2)15-13(3)16-14-10-7-6-8-11-14/h4-5,9,13-14H,1-2,6-8,10-11H2,3H3/b9-5-
InChIKeyOIIPWWKTJSIXDJ-UITAMQMPSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane?
The IUPAC name of 1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane (CID 154973670) is 1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane.
What is the SMILES notation for 1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane?
The canonical SMILES for 1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane is C=C/C=C\C(=C)OC(C)OC1CCCCC1.
What is the InChIKey of 1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane?
The InChIKey is OIIPWWKTJSIXDJ-UITAMQMPSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-5-9-12(2)15-13(3)16-14-10-7-6-8-11-14/h4-5,9,13-14H,1-2,6-8,10-11H2,3H3/b9-5-.
What are the key properties of 1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane?
1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane has a molecular weight of 222.33 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane is sourced from PubChem (CID 154973670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).