1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane

C20H36O — CID 67853298

IUPAC1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESC=CCOC(C)C1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C20H36O/c1-4-6-17-7-9-19(10-8-17)20-13-11-18(12-14-20)16(3)21-15-5-2/h5,16-20H,2,4,6-15H2,1,3H3
InChIKeyIZZIKHXBHHQFFD-UHFFFAOYSA-N
MW292.51 g/mol
LogP5.99
Rot. Bonds7

About 1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane

1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 67853298) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID67853298
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESC=CCOC(C)C1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C20H36O/c1-4-6-17-7-9-19(10-8-17)20-13-11-18(12-14-20)16(3)21-15-5-2/h5,16-20H,2,4,6-15H2,1,3H3
InChIKeyIZZIKHXBHHQFFD-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.99
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-pentyl-4-[4-(1-prop-2-enoxyethyl)cyclohexyl]cyclohexane
CID 19800711
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane
CID 91361324
1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659073
1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659044
1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane
CID 142282795
(4aR,6R,8aR)-2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20807970
2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383771
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570
1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 19899776
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046

Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane (CID 67853298) is 1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane is C=CCOC(C)C1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is IZZIKHXBHHQFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O/c1-4-6-17-7-9-19(10-8-17)20-13-11-18(12-14-20)16(3)21-15-5-2/h5,16-20H,2,4,6-15H2,1,3H3.
What are the key properties of 1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane?
1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 292.51 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 67853298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).