1-but-2-enylcyclohexa-1,3-diene

C10H14 — CID 162866956

IUPAC1-but-2-enylcyclohexa-1,3-diene
SMILESCC=CCC1=CC=CCC1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h2-5,8H,6-7,9H2,1H3
InChIKeyKRIFSZAXQKBLQM-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.23
Rot. Bonds2

About 1-but-2-enylcyclohexa-1,3-diene

1-but-2-enylcyclohexa-1,3-diene (PubChem CID 162866956) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-but-2-enylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-but-2-enylcyclohexa-1,3-diene
PubChem CID162866956
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-but-2-enylcyclohexa-1,3-diene
SMILESCC=CCC1=CC=CCC1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h2-5,8H,6-7,9H2,1H3
InChIKeyKRIFSZAXQKBLQM-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-enylcyclohexa-1,3-diene?
The IUPAC name of 1-but-2-enylcyclohexa-1,3-diene (CID 162866956) is 1-but-2-enylcyclohexa-1,3-diene.
What is the SMILES notation for 1-but-2-enylcyclohexa-1,3-diene?
The canonical SMILES for 1-but-2-enylcyclohexa-1,3-diene is CC=CCC1=CC=CCC1.
What is the InChIKey of 1-but-2-enylcyclohexa-1,3-diene?
The InChIKey is KRIFSZAXQKBLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 1-but-2-enylcyclohexa-1,3-diene?
1-but-2-enylcyclohexa-1,3-diene has a molecular weight of 134.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enylcyclohexa-1,3-diene is sourced from PubChem (CID 162866956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).