(5E)-bicyclo[9.1.0]dodec-5-ene

C12H20 — CID 144561287

IUPAC(5E)-bicyclo[9.1.0]dodec-5-ene
SMILESC1=C/CCCC2CC2CCCC/1
InChIInChI=1S/C12H20/c1-2-4-6-8-11-10-12(11)9-7-5-3-1/h1-2,11-12H,3-10H2/b2-1+
InChIKeyHALIFYHPAUHMDK-OWOJBTEDSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds

About (5E)-bicyclo[9.1.0]dodec-5-ene

(5E)-bicyclo[9.1.0]dodec-5-ene (PubChem CID 144561287) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (5E)-bicyclo[9.1.0]dodec-5-ene.

Molecular Properties

Compound Name(5E)-bicyclo[9.1.0]dodec-5-ene
PubChem CID144561287
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(5E)-bicyclo[9.1.0]dodec-5-ene
SMILESC1=C/CCCC2CC2CCCC/1
InChIInChI=1S/C12H20/c1-2-4-6-8-11-10-12(11)9-7-5-3-1/h1-2,11-12H,3-10H2/b2-1+
InChIKeyHALIFYHPAUHMDK-OWOJBTEDSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.92
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

cyclododecene;cyclohexylcyclohexane
CID 173310836
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
(1S,8S)-bicyclo[6.1.0]non-4-ene
CID 95564639
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
tricyclo[4.3.1.12,5]undecane
CID 13070377
bicyclo[21.1.0]tetracosane
CID 123789596
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
bicyclo[11.1.0]tetradecane
CID 90981498
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bicyclo[4.1.0]heptane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;cyclopropane
CID 160942053
[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine
CID 166890494
(1S,2Z,8R)-bicyclo[6.1.0]non-2-ene
CID 12739610

Frequently Asked Questions

What is the IUPAC name of (5E)-bicyclo[9.1.0]dodec-5-ene?
The IUPAC name of (5E)-bicyclo[9.1.0]dodec-5-ene (CID 144561287) is (5E)-bicyclo[9.1.0]dodec-5-ene.
What is the SMILES notation for (5E)-bicyclo[9.1.0]dodec-5-ene?
The canonical SMILES for (5E)-bicyclo[9.1.0]dodec-5-ene is C1=C/CCCC2CC2CCCC/1.
What is the InChIKey of (5E)-bicyclo[9.1.0]dodec-5-ene?
The InChIKey is HALIFYHPAUHMDK-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H20/c1-2-4-6-8-11-10-12(11)9-7-5-3-1/h1-2,11-12H,3-10H2/b2-1+.
What are the key properties of (5E)-bicyclo[9.1.0]dodec-5-ene?
(5E)-bicyclo[9.1.0]dodec-5-ene has a molecular weight of 164.29 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-bicyclo[9.1.0]dodec-5-ene is sourced from PubChem (CID 144561287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).