6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene

C18H26O — CID 22555355

IUPAC6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene
SMILESCCOC1(C(C)(C)C2=CCC=C2)CC=C(C)C=C1C
InChIInChI=1S/C18H26O/c1-6-19-18(12-11-14(2)13-15(18)3)17(4,5)16-9-7-8-10-16/h7,9-11,13H,6,8,12H2,1-5H3
InChIKeyUVLJXEKIRZCUDH-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.97
Rot. Bonds4

About 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene

6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene (PubChem CID 22555355) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene
PubChem CID22555355
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene
SMILESCCOC1(C(C)(C)C2=CCC=C2)CC=C(C)C=C1C
InChIInChI=1S/C18H26O/c1-6-19-18(12-11-14(2)13-15(18)3)17(4,5)16-9-7-8-10-16/h7,9-11,13H,6,8,12H2,1-5H3
InChIKeyUVLJXEKIRZCUDH-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene?
The IUPAC name of 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene (CID 22555355) is 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene is CCOC1(C(C)(C)C2=CCC=C2)CC=C(C)C=C1C.
What is the InChIKey of 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene?
The InChIKey is UVLJXEKIRZCUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-6-19-18(12-11-14(2)13-15(18)3)17(4,5)16-9-7-8-10-16/h7,9-11,13H,6,8,12H2,1-5H3.
What are the key properties of 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene?
6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene has a molecular weight of 258.40 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-6-ethoxy-1,3-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 22555355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).