6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene

C16H22O — CID 90135959

IUPAC6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene
SMILESCC(C)(C)C1C=C(OC2=CC=CCC2)C=CC1
InChIInChI=1S/C16H22O/c1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14/h4-5,7,9,11-13H,6,8,10H2,1-3H3
InChIKeyOMUULSKWLZAVBC-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.74
Rot. Bonds2

About 6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene

6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene (PubChem CID 90135959) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene
PubChem CID90135959
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene
SMILESCC(C)(C)C1C=C(OC2=CC=CCC2)C=CC1
InChIInChI=1S/C16H22O/c1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14/h4-5,7,9,11-13H,6,8,10H2,1-3H3
InChIKeyOMUULSKWLZAVBC-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-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-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene?
The IUPAC name of 6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene (CID 90135959) is 6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene?
The canonical SMILES for 6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene is CC(C)(C)C1C=C(OC2=CC=CCC2)C=CC1.
What is the InChIKey of 6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene?
The InChIKey is OMUULSKWLZAVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14/h4-5,7,9,11-13H,6,8,10H2,1-3H3.
What are the key properties of 6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene?
6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene has a molecular weight of 230.35 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 90135959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).