5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane

C14H22 — CID 143829864

IUPAC5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane
SMILESCC.CC(C)=c1ccccc1=C(C)C
InChIInChI=1S/C12H16.C2H6/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-2/h5-8H,1-4H3;1-2H3
InChIKeyZONUKNQBFCMMRJ-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.09
Rot. Bonds

About 5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane

5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane (PubChem CID 143829864) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane.

Molecular Properties

Compound Name5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane
PubChem CID143829864
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane
SMILESCC.CC(C)=c1ccccc1=C(C)C
InChIInChI=1S/C12H16.C2H6/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-2/h5-8H,1-4H3;1-2H3
InChIKeyZONUKNQBFCMMRJ-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene
CID 142173952
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CID 174440223
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Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane?
The IUPAC name of 5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane (CID 143829864) is 5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane.
What is the SMILES notation for 5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane?
The canonical SMILES for 5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane is CC.CC(C)=c1ccccc1=C(C)C.
What is the InChIKey of 5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane?
The InChIKey is ZONUKNQBFCMMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C2H6/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-2/h5-8H,1-4H3;1-2H3.
What are the key properties of 5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane?
5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane has a molecular weight of 190.33 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane is sourced from PubChem (CID 143829864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).