1,2-bis(but-2-enyl)cycloocta-1,5-diene

C16H24 — CID 173112409

IUPAC1,2-bis(but-2-enyl)cycloocta-1,5-diene
SMILESCC=CCC1=C(CC=CC)CCC=CCC1
InChIInChI=1S/C16H24/c1-3-5-11-15-13-9-7-8-10-14-16(15)12-6-4-2/h3-8H,9-14H2,1-2H3
InChIKeyJNQUPWZITLTFDQ-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.35
Rot. Bonds4

About 1,2-bis(but-2-enyl)cycloocta-1,5-diene

1,2-bis(but-2-enyl)cycloocta-1,5-diene (PubChem CID 173112409) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1,2-bis(but-2-enyl)cycloocta-1,5-diene.

Molecular Properties

Compound Name1,2-bis(but-2-enyl)cycloocta-1,5-diene
PubChem CID173112409
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1,2-bis(but-2-enyl)cycloocta-1,5-diene
SMILESCC=CCC1=C(CC=CC)CCC=CCC1
InChIInChI=1S/C16H24/c1-3-5-11-15-13-9-7-8-10-14-16(15)12-6-4-2/h3-8H,9-14H2,1-2H3
InChIKeyJNQUPWZITLTFDQ-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.35
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 1,2-bis(but-2-enyl)cycloocta-1,5-diene?
The IUPAC name of 1,2-bis(but-2-enyl)cycloocta-1,5-diene (CID 173112409) is 1,2-bis(but-2-enyl)cycloocta-1,5-diene.
What is the SMILES notation for 1,2-bis(but-2-enyl)cycloocta-1,5-diene?
The canonical SMILES for 1,2-bis(but-2-enyl)cycloocta-1,5-diene is CC=CCC1=C(CC=CC)CCC=CCC1.
What is the InChIKey of 1,2-bis(but-2-enyl)cycloocta-1,5-diene?
The InChIKey is JNQUPWZITLTFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-3-5-11-15-13-9-7-8-10-14-16(15)12-6-4-2/h3-8H,9-14H2,1-2H3.
What are the key properties of 1,2-bis(but-2-enyl)cycloocta-1,5-diene?
1,2-bis(but-2-enyl)cycloocta-1,5-diene has a molecular weight of 216.37 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(but-2-enyl)cycloocta-1,5-diene is sourced from PubChem (CID 173112409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).