3,6-di(propan-2-ylidene)cyclohexa-1,4-diene

C12H16 — CID 10197829

IUPAC3,6-di(propan-2-ylidene)cyclohexa-1,4-diene
SMILESCC(C)=c1ccc(=C(C)C)cc1
InChIInChI=1S/C12H16/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8H,1-4H3
InChIKeyUUFMOHKKIHCROP-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.07
Rot. Bonds

About 3,6-di(propan-2-ylidene)cyclohexa-1,4-diene

3,6-di(propan-2-ylidene)cyclohexa-1,4-diene (PubChem CID 10197829) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3,6-di(propan-2-ylidene)cyclohexa-1,4-diene.

Molecular Properties

Compound Name3,6-di(propan-2-ylidene)cyclohexa-1,4-diene
PubChem CID10197829
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name3,6-di(propan-2-ylidene)cyclohexa-1,4-diene
SMILESCC(C)=c1ccc(=C(C)C)cc1
InChIInChI=1S/C12H16/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8H,1-4H3
InChIKeyUUFMOHKKIHCROP-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-ylidene)cyclohexa-1,4-diene?
The IUPAC name of 3,6-di(propan-2-ylidene)cyclohexa-1,4-diene (CID 10197829) is 3,6-di(propan-2-ylidene)cyclohexa-1,4-diene.
What is the SMILES notation for 3,6-di(propan-2-ylidene)cyclohexa-1,4-diene?
The canonical SMILES for 3,6-di(propan-2-ylidene)cyclohexa-1,4-diene is CC(C)=c1ccc(=C(C)C)cc1.
What is the InChIKey of 3,6-di(propan-2-ylidene)cyclohexa-1,4-diene?
The InChIKey is UUFMOHKKIHCROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8H,1-4H3.
What are the key properties of 3,6-di(propan-2-ylidene)cyclohexa-1,4-diene?
3,6-di(propan-2-ylidene)cyclohexa-1,4-diene has a molecular weight of 160.26 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-ylidene)cyclohexa-1,4-diene is sourced from PubChem (CID 10197829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).