5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene

C13H18 — CID 91429433

IUPAC5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene
SMILESCC=c1ccccc1=C(C)CCC
InChIInChI=1S/C13H18/c1-4-8-11(3)13-10-7-6-9-12(13)5-2/h5-7,9-10H,4,8H2,1-3H3
InChIKeyUTHZGYXNJYQVEJ-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.46
Rot. Bonds2

About 5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene

5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene (PubChem CID 91429433) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene
PubChem CID91429433
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene
SMILESCC=c1ccccc1=C(C)CCC
InChIInChI=1S/C13H18/c1-4-8-11(3)13-10-7-6-9-12(13)5-2/h5-7,9-10H,4,8H2,1-3H3
InChIKeyUTHZGYXNJYQVEJ-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene?
The IUPAC name of 5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene (CID 91429433) is 5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene.
What is the SMILES notation for 5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene?
The canonical SMILES for 5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene is CC=c1ccccc1=C(C)CCC.
What is the InChIKey of 5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene?
The InChIKey is UTHZGYXNJYQVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-4-8-11(3)13-10-7-6-9-12(13)5-2/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene?
5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene has a molecular weight of 174.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-6-pentan-2-ylidenecyclohexa-1,3-diene is sourced from PubChem (CID 91429433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).