3,6-dimethylidenecyclohexa-1,4-diene;ethane

C14H26 — CID 91063078

IUPAC3,6-dimethylidenecyclohexa-1,4-diene;ethane
SMILESC=c1ccc(=C)cc1.CC.CC.CC
InChIInChI=1S/C8H8.3C2H6/c1-7-3-5-8(2)6-4-7;3*1-2/h3-6H,1-2H2;3*1-2H3
InChIKeyPVZZQVZTZDQBRH-UHFFFAOYSA-N
MW194.36 g/mol
LogP3.59
Rot. Bonds

About 3,6-dimethylidenecyclohexa-1,4-diene;ethane

3,6-dimethylidenecyclohexa-1,4-diene;ethane (PubChem CID 91063078) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3,6-dimethylidenecyclohexa-1,4-diene;ethane.

Molecular Properties

Compound Name3,6-dimethylidenecyclohexa-1,4-diene;ethane
PubChem CID91063078
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3,6-dimethylidenecyclohexa-1,4-diene;ethane
SMILESC=c1ccc(=C)cc1.CC.CC.CC
InChIInChI=1S/C8H8.3C2H6/c1-7-3-5-8(2)6-4-7;3*1-2/h3-6H,1-2H2;3*1-2H3
InChIKeyPVZZQVZTZDQBRH-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylidenecyclohexa-1,4-diene;ethane?
The IUPAC name of 3,6-dimethylidenecyclohexa-1,4-diene;ethane (CID 91063078) is 3,6-dimethylidenecyclohexa-1,4-diene;ethane.
What is the SMILES notation for 3,6-dimethylidenecyclohexa-1,4-diene;ethane?
The canonical SMILES for 3,6-dimethylidenecyclohexa-1,4-diene;ethane is C=c1ccc(=C)cc1.CC.CC.CC.
What is the InChIKey of 3,6-dimethylidenecyclohexa-1,4-diene;ethane?
The InChIKey is PVZZQVZTZDQBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.3C2H6/c1-7-3-5-8(2)6-4-7;3*1-2/h3-6H,1-2H2;3*1-2H3.
What are the key properties of 3,6-dimethylidenecyclohexa-1,4-diene;ethane?
3,6-dimethylidenecyclohexa-1,4-diene;ethane has a molecular weight of 194.36 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylidenecyclohexa-1,4-diene;ethane is sourced from PubChem (CID 91063078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).