1-(2-methylprop-2-enyl)cycloocta-1,5-diene

C12H18 — CID 10170477

IUPAC1-(2-methylprop-2-enyl)cycloocta-1,5-diene
SMILESC=C(C)CC1=CCCC=CCC1
InChIInChI=1S/C12H18/c1-11(2)10-12-8-6-4-3-5-7-9-12/h3-4,9H,1,5-8,10H2,2H3
InChIKeyKURYVFBOVAPPPV-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds2

About 1-(2-methylprop-2-enyl)cycloocta-1,5-diene

1-(2-methylprop-2-enyl)cycloocta-1,5-diene (PubChem CID 10170477) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)cycloocta-1,5-diene.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)cycloocta-1,5-diene
PubChem CID10170477
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-(2-methylprop-2-enyl)cycloocta-1,5-diene
SMILESC=C(C)CC1=CCCC=CCC1
InChIInChI=1S/C12H18/c1-11(2)10-12-8-6-4-3-5-7-9-12/h3-4,9H,1,5-8,10H2,2H3
InChIKeyKURYVFBOVAPPPV-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
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-methylprop-2-enyl)cycloocta-1,5-diene?
The IUPAC name of 1-(2-methylprop-2-enyl)cycloocta-1,5-diene (CID 10170477) is 1-(2-methylprop-2-enyl)cycloocta-1,5-diene.
What is the SMILES notation for 1-(2-methylprop-2-enyl)cycloocta-1,5-diene?
The canonical SMILES for 1-(2-methylprop-2-enyl)cycloocta-1,5-diene is C=C(C)CC1=CCCC=CCC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)cycloocta-1,5-diene?
The InChIKey is KURYVFBOVAPPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-11(2)10-12-8-6-4-3-5-7-9-12/h3-4,9H,1,5-8,10H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)cycloocta-1,5-diene?
1-(2-methylprop-2-enyl)cycloocta-1,5-diene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)cycloocta-1,5-diene is sourced from PubChem (CID 10170477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).