2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene

C20H30O — CID 67921648

IUPAC2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene
SMILESCC(C)(COCC(C)(C)C1=CCCC=C1)C1=CCCC=C1
InChIInChI=1S/C20H30O/c1-19(2,17-11-7-5-8-12-17)15-21-16-20(3,4)18-13-9-6-10-14-18/h7,9,11-14H,5-6,8,10,15-16H2,1-4H3
InChIKeyOLWZTZNESUWFCR-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.61
Rot. Bonds6

About 2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene

2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene (PubChem CID 67921648) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene
PubChem CID67921648
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene
SMILESCC(C)(COCC(C)(C)C1=CCCC=C1)C1=CCCC=C1
InChIInChI=1S/C20H30O/c1-19(2,17-11-7-5-8-12-17)15-21-16-20(3,4)18-13-9-6-10-14-18/h7,9,11-14H,5-6,8,10,15-16H2,1-4H3
InChIKeyOLWZTZNESUWFCR-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-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 2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene?
The IUPAC name of 2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene (CID 67921648) is 2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene is CC(C)(COCC(C)(C)C1=CCCC=C1)C1=CCCC=C1.
What is the InChIKey of 2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene?
The InChIKey is OLWZTZNESUWFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-19(2,17-11-7-5-8-12-17)15-21-16-20(3,4)18-13-9-6-10-14-18/h7,9,11-14H,5-6,8,10,15-16H2,1-4H3.
What are the key properties of 2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene?
2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene has a molecular weight of 286.46 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclohexa-1,5-dien-1-yl-2-methylpropoxy)-2-methylpropan-2-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 67921648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).