bicyclo[5.2.2]undeca-1,6-diene

C11H16 — CID 71408872

IUPACbicyclo[5.2.2]undeca-1,6-diene
SMILESC1=C2CCC(=CCCC1)CC2
InChIInChI=1S/C11H16/c1-2-4-10-6-8-11(5-3-1)9-7-10/h4-5H,1-3,6-9H2/b10-4-,11-5-
InChIKeySRYUZPSZGDEMDG-GGXLTUIBSA-N
MW148.25 g/mol
LogP3.60
Rot. Bonds

About bicyclo[5.2.2]undeca-1,6-diene

bicyclo[5.2.2]undeca-1,6-diene (PubChem CID 71408872) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is bicyclo[5.2.2]undeca-1,6-diene.

Molecular Properties

Compound Namebicyclo[5.2.2]undeca-1,6-diene
PubChem CID71408872
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Namebicyclo[5.2.2]undeca-1,6-diene
SMILESC1=C2CCC(=CCCC1)CC2
InChIInChI=1S/C11H16/c1-2-4-10-6-8-11(5-3-1)9-7-10/h4-5H,1-3,6-9H2/b10-4-,11-5-
InChIKeySRYUZPSZGDEMDG-GGXLTUIBSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylcycloocten-1-amine oxide
CID 175982380
1-(7-hydroxycyclohepta-1,6-dien-1-yl)ethanone
CID 143754731
(1Z)-bicyclo[6.2.1]undec-1-ene
CID 149112398
lithium (1E)-cyclododecen-1-olate
CID 23682255
cyclopentenylsilane
CID 57321260
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
CID 58718212
CID 58718212
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
diethyl cyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809712
1-methylcyclobutene;sulfane
CID 90109296
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
cyclohepta-2,7-diene-1,2-dicarbonitrile
CID 135275572

Frequently Asked Questions

What is the IUPAC name of bicyclo[5.2.2]undeca-1,6-diene?
The IUPAC name of bicyclo[5.2.2]undeca-1,6-diene (CID 71408872) is bicyclo[5.2.2]undeca-1,6-diene.
What is the SMILES notation for bicyclo[5.2.2]undeca-1,6-diene?
The canonical SMILES for bicyclo[5.2.2]undeca-1,6-diene is C1=C2CCC(=CCCC1)CC2.
What is the InChIKey of bicyclo[5.2.2]undeca-1,6-diene?
The InChIKey is SRYUZPSZGDEMDG-GGXLTUIBSA-N. The full InChI is InChI=1S/C11H16/c1-2-4-10-6-8-11(5-3-1)9-7-10/h4-5H,1-3,6-9H2/b10-4-,11-5-.
What are the key properties of bicyclo[5.2.2]undeca-1,6-diene?
bicyclo[5.2.2]undeca-1,6-diene has a molecular weight of 148.25 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.2.2]undeca-1,6-diene is sourced from PubChem (CID 71408872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).