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

C20H36O — CID 19899765

IUPAC1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane
SMILESC=CCOCC1CCC(CCC2CCC(CC)CC2)CC1
InChIInChI=1S/C20H36O/c1-3-15-21-16-20-13-11-19(12-14-20)10-9-18-7-5-17(4-2)6-8-18/h3,17-20H,1,4-16H2,2H3
InChIKeyGMAQGPZXQSNQDR-UHFFFAOYSA-N
MW292.51 g/mol
LogP5.99
Rot. Bonds8

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

1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane (PubChem CID 19899765) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane
PubChem CID19899765
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane
SMILESC=CCOCC1CCC(CCC2CCC(CC)CC2)CC1
InChIInChI=1S/C20H36O/c1-3-15-21-16-20-13-11-19(12-14-20)10-9-18-7-5-17(4-2)6-8-18/h3,17-20H,1,4-16H2,2H3
InChIKeyGMAQGPZXQSNQDR-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane (CID 19899765) is 1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane is C=CCOCC1CCC(CCC2CCC(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane?
The InChIKey is GMAQGPZXQSNQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O/c1-3-15-21-16-20-13-11-19(12-14-20)10-9-18-7-5-17(4-2)6-8-18/h3,17-20H,1,4-16H2,2H3.
What are the key properties of 1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane?
1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane has a molecular weight of 292.51 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 19899765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).