5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene

C15H20O — CID 18347648

IUPAC5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene
SMILESCOC1(C(C)(C)C2=CC=CC2)C=CC=CC1
InChIInChI=1S/C15H20O/c1-14(2,13-9-5-6-10-13)15(16-3)11-7-4-8-12-15/h4-9,11H,10,12H2,1-3H3
InChIKeyMGNUXIDBILTHFO-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.80
Rot. Bonds3

About 5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene

5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene (PubChem CID 18347648) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene
PubChem CID18347648
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene
SMILESCOC1(C(C)(C)C2=CC=CC2)C=CC=CC1
InChIInChI=1S/C15H20O/c1-14(2,13-9-5-6-10-13)15(16-3)11-7-4-8-12-15/h4-9,11H,10,12H2,1-3H3
InChIKeyMGNUXIDBILTHFO-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-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 5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene?
The IUPAC name of 5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene (CID 18347648) is 5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene?
The canonical SMILES for 5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene is COC1(C(C)(C)C2=CC=CC2)C=CC=CC1.
What is the InChIKey of 5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene?
The InChIKey is MGNUXIDBILTHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-14(2,13-9-5-6-10-13)15(16-3)11-7-4-8-12-15/h4-9,11H,10,12H2,1-3H3.
What are the key properties of 5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene?
5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene has a molecular weight of 216.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-5-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 18347648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).