1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane

C14H22O — CID 123350690

IUPAC1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane
SMILESC=CC=C(C=C)OC1CCC(CC)CC1
InChIInChI=1S/C14H22O/c1-4-7-13(6-3)15-14-10-8-12(5-2)9-11-14/h4,6-7,12,14H,1,3,5,8-11H2,2H3
InChIKeyNHAQIIAWSRKWRT-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.23
Rot. Bonds5

About 1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane

1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane (PubChem CID 123350690) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane.

Molecular Properties

Compound Name1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane
PubChem CID123350690
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane
SMILESC=CC=C(C=C)OC1CCC(CC)CC1
InChIInChI=1S/C14H22O/c1-4-7-13(6-3)15-14-10-8-12(5-2)9-11-14/h4,6-7,12,14H,1,3,5,8-11H2,2H3
InChIKeyNHAQIIAWSRKWRT-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.23
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

1-(4-Methylpenta-1,3-dien-3-yloxy)-4-(trifluoromethyl)cyclohexane
CID 123478391
1-[(2E,4Z)-6-fluorohepta-2,4-dien-3-yl]oxy-4-methylcyclohexane
CID 143220169
Lithium 4-methyldecoxybenzene
CID 14069914
lithium [(4S)-4-methyldecoxy]benzene
CID 14069916
Lithium 4-methyldodecoxybenzene
CID 14365104
lithium [(4S)-4-methyldodecoxy]benzene
CID 14365106
1-heptyl-4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexane
CID 18689031
1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane
CID 18689146
1-[(2E,4E)-hexa-2,4-dienoxy]-4-pentylcyclohexane
CID 18689165
1-Methyl-4-prop-2-enoxycyclohexane
CID 23381126
1-Heptyl-4-hexa-2,4-dienoxycyclohexane
CID 54051203
1-Hexa-2,4-dienoxy-4-pentylcyclohexane
CID 54337499

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane?
The IUPAC name of 1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane (CID 123350690) is 1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane.
What is the SMILES notation for 1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane?
The canonical SMILES for 1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane is C=CC=C(C=C)OC1CCC(CC)CC1.
What is the InChIKey of 1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane?
The InChIKey is NHAQIIAWSRKWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-7-13(6-3)15-14-10-8-12(5-2)9-11-14/h4,6-7,12,14H,1,3,5,8-11H2,2H3.
What are the key properties of 1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane?
1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane has a molecular weight of 206.33 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane is sourced from PubChem (CID 123350690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).