1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane

C22H40O — CID 57154676

IUPAC1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane
SMILESCCCCC=CC1CCC(CCC2CCC(OCC)CC2)CC1
InChIInChI=1S/C22H40O/c1-3-5-6-7-8-19-9-11-20(12-10-19)13-14-21-15-17-22(18-16-21)23-4-2/h7-8,19-22H,3-6,9-18H2,1-2H3
InChIKeyFFKZROFZRIHJPK-UHFFFAOYSA-N
MW320.56 g/mol
LogP6.91
Rot. Bonds9

About 1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane

1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane (PubChem CID 57154676) has the molecular formula C22H40O and a molecular weight of 320.56 g/mol. Its IUPAC name is 1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane
PubChem CID57154676
Molecular FormulaC22H40O
Molecular Weight320.56 g/mol
Exact Mass320.31
IUPAC Name1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane
SMILESCCCCC=CC1CCC(CCC2CCC(OCC)CC2)CC1
InChIInChI=1S/C22H40O/c1-3-5-6-7-8-19-9-11-20(12-10-19)13-14-21-15-17-22(18-16-21)23-4-2/h7-8,19-22H,3-6,9-18H2,1-2H3
InChIKeyFFKZROFZRIHJPK-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane
CID 57274061
1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane
CID 19380399
[(E)-hex-1-enyl]cyclopropane
CID 5352188
1-[(E)-but-1-enyl]-4-[2-(4-pentoxycyclohexyl)ethyl]cyclohexane
CID 19380357
1-butoxy-4-(4-hex-1-enylcyclohexyl)cyclohexane
CID 57181103
1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane
CID 67864187
1-non-1-enyl-4-pent-3-enylcyclohexane
CID 123569351
1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 140650646
1-hexoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19380514
1-[(E)-hex-1-enyl]-4-[(E)-prop-1-enyl]cyclohexane
CID 140650689
1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane
CID 67946262
1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane
CID 19070167

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane (CID 57154676) is 1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane is CCCCC=CC1CCC(CCC2CCC(OCC)CC2)CC1.
What is the InChIKey of 1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane?
The InChIKey is FFKZROFZRIHJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O/c1-3-5-6-7-8-19-9-11-20(12-10-19)13-14-21-15-17-22(18-16-21)23-4-2/h7-8,19-22H,3-6,9-18H2,1-2H3.
What are the key properties of 1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane?
1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane has a molecular weight of 320.56 g/mol, XLogP of 6.91, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 57154676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).