spiro[4.6]undec-2-ene

C11H18 — CID 123632667

IUPACspiro[4.6]undec-2-ene
SMILESC1=CCC2(C1)CCCCCC2
InChIInChI=1S/C11H18/c1-2-4-8-11(7-3-1)9-5-6-10-11/h5-6H,1-4,7-10H2
InChIKeyFRUAVHYHSBOAOT-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.68
Rot. Bonds

About spiro[4.6]undec-2-ene

spiro[4.6]undec-2-ene (PubChem CID 123632667) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is spiro[4.6]undec-2-ene.

Molecular Properties

Compound Namespiro[4.6]undec-2-ene
PubChem CID123632667
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Namespiro[4.6]undec-2-ene
SMILESC1=CCC2(C1)CCCCCC2
InChIInChI=1S/C11H18/c1-2-4-8-11(7-3-1)9-5-6-10-11/h5-6H,1-4,7-10H2
InChIKeyFRUAVHYHSBOAOT-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.68
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 spiro[4.6]undec-2-ene?
The IUPAC name of spiro[4.6]undec-2-ene (CID 123632667) is spiro[4.6]undec-2-ene.
What is the SMILES notation for spiro[4.6]undec-2-ene?
The canonical SMILES for spiro[4.6]undec-2-ene is C1=CCC2(C1)CCCCCC2.
What is the InChIKey of spiro[4.6]undec-2-ene?
The InChIKey is FRUAVHYHSBOAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-4-8-11(7-3-1)9-5-6-10-11/h5-6H,1-4,7-10H2.
What are the key properties of spiro[4.6]undec-2-ene?
spiro[4.6]undec-2-ene has a molecular weight of 150.27 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.6]undec-2-ene is sourced from PubChem (CID 123632667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).