1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene

C24H36O — CID 67677413

IUPAC1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
SMILESC/C=C\C1CCC(C2CCC(c3ccc(COCC)cc3)CC2)CC1
InChIInChI=1S/C24H36O/c1-3-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)18-25-4-2/h3,5,8-9,12-13,19,21,23-24H,4,6-7,10-11,14-18H2,1-2H3/b5-3-
InChIKeyLZQPARYQZBOMDE-HYXAFXHYSA-N
MW340.55 g/mol
LogP6.88
Rot. Bonds6

About 1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene

1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene (PubChem CID 67677413) has the molecular formula C24H36O and a molecular weight of 340.55 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
PubChem CID67677413
Molecular FormulaC24H36O
Molecular Weight340.55 g/mol
Exact Mass340.28
IUPAC Name1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
SMILESC/C=C\C1CCC(C2CCC(c3ccc(COCC)cc3)CC2)CC1
InChIInChI=1S/C24H36O/c1-3-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)18-25-4-2/h3,5,8-9,12-13,19,21,23-24H,4,6-7,10-11,14-18H2,1-2H3/b5-3-
InChIKeyLZQPARYQZBOMDE-HYXAFXHYSA-N
XLogP6.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(pentoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 67677329
1-(pent-4-enoxymethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]benzene
CID 67677311
1-(but-2-enoxymethyl)-4-[4-(4-pent-1-enylcyclohexyl)cyclohexyl]benzene
CID 54484831
1-(pent-3-enoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 67677295
1-(pent-3-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)benzene
CID 54403576
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-(pent-2-enoxymethyl)benzene
CID 54028564
1-(pent-4-ynoxymethyl)-4-[4-(4-prop-1-enylcyclohexyl)phenyl]benzene
CID 54444339
1-(4-pent-1-enylcyclohexyl)-4-(propoxymethyl)benzene
CID 54131029
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
CID 19798836
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 161061804

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene (CID 67677413) is 1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene is C/C=C\C1CCC(C2CCC(c3ccc(COCC)cc3)CC2)CC1.
What is the InChIKey of 1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene?
The InChIKey is LZQPARYQZBOMDE-HYXAFXHYSA-N. The full InChI is InChI=1S/C24H36O/c1-3-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)18-25-4-2/h3,5,8-9,12-13,19,21,23-24H,4,6-7,10-11,14-18H2,1-2H3/b5-3-.
What are the key properties of 1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene?
1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene has a molecular weight of 340.55 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 67677413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).