1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane

C21H38O — CID 19899776

IUPAC1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
SMILESC=CCOCC1CCC(CCC2CCC(CCC)CC2)CC1
InChIInChI=1S/C21H38O/c1-3-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)17-22-16-4-2/h4,18-21H,2-3,5-17H2,1H3
InChIKeyCRDDDDBGHZIRQY-UHFFFAOYSA-N
MW306.53 g/mol
LogP6.38
Rot. Bonds9

About 1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane

1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane (PubChem CID 19899776) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is 1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
PubChem CID19899776
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
SMILESC=CCOCC1CCC(CCC2CCC(CCC)CC2)CC1
InChIInChI=1S/C21H38O/c1-3-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)17-22-16-4-2/h4,18-21H,2-3,5-17H2,1H3
InChIKeyCRDDDDBGHZIRQY-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 56.38
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-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899765
1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
1-(but-2-enoxymethyl)-4-(4-but-3-enylcyclohexyl)cyclohexane
CID 56628373
1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
CID 56633881
1-[[(Z)-but-2-enoxy]methyl]-4-(4-butylcyclohexyl)cyclohexane
CID 67898877
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 67853298
1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 56624136
4-(prop-2-enoxymethyl)cyclohexan-1-one
CID 58548771
1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane
CID 58555576
ethane;propane;propylcyclopropane
CID 145406182
4-[2-[4-(pent-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 56627723

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane (CID 19899776) is 1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane is C=CCOCC1CCC(CCC2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane?
The InChIKey is CRDDDDBGHZIRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O/c1-3-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)17-22-16-4-2/h4,18-21H,2-3,5-17H2,1H3.
What are the key properties of 1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane?
1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane has a molecular weight of 306.53 g/mol, XLogP of 6.38, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 19899776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).