5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene

C18H28O2 — CID 140824413

IUPAC5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene
SMILESCCOC1(C=COC(C)C2CCCCC2)C=CC=CC1
InChIInChI=1S/C18H28O2/c1-3-20-18(12-8-5-9-13-18)14-15-19-16(2)17-10-6-4-7-11-17/h5,8-9,12,14-17H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyRSAXNGGSUSKSOL-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.78
Rot. Bonds6

About 5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene

5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene (PubChem CID 140824413) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene
PubChem CID140824413
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene
SMILESCCOC1(C=COC(C)C2CCCCC2)C=CC=CC1
InChIInChI=1S/C18H28O2/c1-3-20-18(12-8-5-9-13-18)14-15-19-16(2)17-10-6-4-7-11-17/h5,8-9,12,14-17H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyRSAXNGGSUSKSOL-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene?
The IUPAC name of 5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene (CID 140824413) is 5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene?
The canonical SMILES for 5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene is CCOC1(C=COC(C)C2CCCCC2)C=CC=CC1.
What is the InChIKey of 5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene?
The InChIKey is RSAXNGGSUSKSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-3-20-18(12-8-5-9-13-18)14-15-19-16(2)17-10-6-4-7-11-17/h5,8-9,12,14-17H,3-4,6-7,10-11,13H2,1-2H3.
What are the key properties of 5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene?
5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene has a molecular weight of 276.42 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene is sourced from PubChem (CID 140824413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).