(5E)-5-butan-2-ylidenecyclohexa-1,3-diene

C10H14 — CID 10978663

IUPAC(5E)-5-butan-2-ylidenecyclohexa-1,3-diene
SMILESCC/C(C)=C1/C=CC=CC1
InChIInChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-7H,3,8H2,1-2H3/b10-9-
InChIKeyJNPQCITWUCPJEU-KTKRTIGZSA-N
MW134.22 g/mol
LogP3.23
Rot. Bonds1

About (5E)-5-butan-2-ylidenecyclohexa-1,3-diene

(5E)-5-butan-2-ylidenecyclohexa-1,3-diene (PubChem CID 10978663) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (5E)-5-butan-2-ylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E)-5-butan-2-ylidenecyclohexa-1,3-diene
PubChem CID10978663
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(5E)-5-butan-2-ylidenecyclohexa-1,3-diene
SMILESCC/C(C)=C1/C=CC=CC1
InChIInChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-7H,3,8H2,1-2H3/b10-9-
InChIKeyJNPQCITWUCPJEU-KTKRTIGZSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-butan-2-ylidenecyclohexa-1,3-diene?
The IUPAC name of (5E)-5-butan-2-ylidenecyclohexa-1,3-diene (CID 10978663) is (5E)-5-butan-2-ylidenecyclohexa-1,3-diene.
What is the SMILES notation for (5E)-5-butan-2-ylidenecyclohexa-1,3-diene?
The canonical SMILES for (5E)-5-butan-2-ylidenecyclohexa-1,3-diene is CC/C(C)=C1/C=CC=CC1.
What is the InChIKey of (5E)-5-butan-2-ylidenecyclohexa-1,3-diene?
The InChIKey is JNPQCITWUCPJEU-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-7H,3,8H2,1-2H3/b10-9-.
What are the key properties of (5E)-5-butan-2-ylidenecyclohexa-1,3-diene?
(5E)-5-butan-2-ylidenecyclohexa-1,3-diene has a molecular weight of 134.22 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-butan-2-ylidenecyclohexa-1,3-diene is sourced from PubChem (CID 10978663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).