1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene

C18H26O — CID 19987971

IUPAC1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene
SMILESCCOc1ccc(CCC2=CCC(CC)CC2)cc1
InChIInChI=1S/C18H26O/c1-3-15-5-7-16(8-6-15)9-10-17-11-13-18(14-12-17)19-4-2/h7,11-15H,3-6,8-10H2,1-2H3
InChIKeyJGPQGHOUKOPBKR-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.15
Rot. Bonds6

About 1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene

1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene (PubChem CID 19987971) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene
PubChem CID19987971
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene
SMILESCCOc1ccc(CCC2=CCC(CC)CC2)cc1
InChIInChI=1S/C18H26O/c1-3-15-5-7-16(8-6-15)9-10-17-11-13-18(14-12-17)19-4-2/h7,11-15H,3-6,8-10H2,1-2H3
InChIKeyJGPQGHOUKOPBKR-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene?
The IUPAC name of 1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene (CID 19987971) is 1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene?
The canonical SMILES for 1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene is CCOc1ccc(CCC2=CCC(CC)CC2)cc1.
What is the InChIKey of 1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene?
The InChIKey is JGPQGHOUKOPBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-3-15-5-7-16(8-6-15)9-10-17-11-13-18(14-12-17)19-4-2/h7,11-15H,3-6,8-10H2,1-2H3.
What are the key properties of 1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene?
1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene has a molecular weight of 258.40 g/mol, XLogP of 5.15, 6 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-ethylcyclohexen-1-yl)ethyl]benzene is sourced from PubChem (CID 19987971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).