3-methylidenespiro[5.5]undeca-1,4-diene

C12H16 — CID 13113851

IUPAC3-methylidenespiro[5.5]undeca-1,4-diene
SMILESC=C1C=CC2(C=C1)CCCCC2
InChIInChI=1S/C12H16/c1-11-5-9-12(10-6-11)7-3-2-4-8-12/h5-6,9-10H,1-4,7-8H2
InChIKeyILMNTBYTGXQWEJ-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.62
Rot. Bonds

About 3-methylidenespiro[5.5]undeca-1,4-diene

3-methylidenespiro[5.5]undeca-1,4-diene (PubChem CID 13113851) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-methylidenespiro[5.5]undeca-1,4-diene.

Molecular Properties

Compound Name3-methylidenespiro[5.5]undeca-1,4-diene
PubChem CID13113851
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name3-methylidenespiro[5.5]undeca-1,4-diene
SMILESC=C1C=CC2(C=C1)CCCCC2
InChIInChI=1S/C12H16/c1-11-5-9-12(10-6-11)7-3-2-4-8-12/h5-6,9-10H,1-4,7-8H2
InChIKeyILMNTBYTGXQWEJ-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenespiro[5.5]undeca-1,4-diene?
The IUPAC name of 3-methylidenespiro[5.5]undeca-1,4-diene (CID 13113851) is 3-methylidenespiro[5.5]undeca-1,4-diene.
What is the SMILES notation for 3-methylidenespiro[5.5]undeca-1,4-diene?
The canonical SMILES for 3-methylidenespiro[5.5]undeca-1,4-diene is C=C1C=CC2(C=C1)CCCCC2.
What is the InChIKey of 3-methylidenespiro[5.5]undeca-1,4-diene?
The InChIKey is ILMNTBYTGXQWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-11-5-9-12(10-6-11)7-3-2-4-8-12/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 3-methylidenespiro[5.5]undeca-1,4-diene?
3-methylidenespiro[5.5]undeca-1,4-diene has a molecular weight of 160.26 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenespiro[5.5]undeca-1,4-diene is sourced from PubChem (CID 13113851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).