spiro[4.7]dodec-2-ene

C12H20 — CID 173458049

IUPACspiro[4.7]dodec-2-ene
SMILESC1=CCC2(C1)CCCCCCC2
InChIInChI=1S/C12H20/c1-2-4-8-12(9-5-3-1)10-6-7-11-12/h6-7H,1-5,8-11H2
InChIKeyIIDWNNVZVGVXKW-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.07
Rot. Bonds

About spiro[4.7]dodec-2-ene

spiro[4.7]dodec-2-ene (PubChem CID 173458049) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is spiro[4.7]dodec-2-ene.

Molecular Properties

Compound Namespiro[4.7]dodec-2-ene
PubChem CID173458049
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Namespiro[4.7]dodec-2-ene
SMILESC1=CCC2(C1)CCCCCCC2
InChIInChI=1S/C12H20/c1-2-4-8-12(9-5-3-1)10-6-7-11-12/h6-7H,1-5,8-11H2
InChIKeyIIDWNNVZVGVXKW-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
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

spiro[4.6]undec-2-ene
CID 123632667
spiro[2.4]hept-5-ene
CID 57429034
spiro[4.6]undeca-2,8-diene
CID 123157263
ethane;spiro[3.5]non-7-ene
CID 144945784
spiro[2.7]decane
CID 12657449
spiro[4.5]deca-7,9-diene;spiro[4.4]nona-2,7-diene;spiro[3.5]non-7-ene;spiro[4.4]non-2-ene;spiro[3.4]oct-6-ene;spiro[4.6]undec-2-ene;spiro[4.6]undec-8-ene;spiro[5.5]undec-3-ene
CID 161046908
spiro[4.4]nonane
CID 90780660
2,8-diazaspiro[5.6]dodec-10-ene
CID 23135409
spiro[2.6]nonane;hydrochloride
CID 141316852
spiro[4.4]nonane;dihydrochloride
CID 172764572
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448

Frequently Asked Questions

What is the IUPAC name of spiro[4.7]dodec-2-ene?
The IUPAC name of spiro[4.7]dodec-2-ene (CID 173458049) is spiro[4.7]dodec-2-ene.
What is the SMILES notation for spiro[4.7]dodec-2-ene?
The canonical SMILES for spiro[4.7]dodec-2-ene is C1=CCC2(C1)CCCCCCC2.
What is the InChIKey of spiro[4.7]dodec-2-ene?
The InChIKey is IIDWNNVZVGVXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-2-4-8-12(9-5-3-1)10-6-7-11-12/h6-7H,1-5,8-11H2.
What are the key properties of spiro[4.7]dodec-2-ene?
spiro[4.7]dodec-2-ene has a molecular weight of 164.29 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.7]dodec-2-ene is sourced from PubChem (CID 173458049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).