11-methylidenespiro[4.6]undecane

C12H20 — CID 10964861

IUPAC11-methylidenespiro[4.6]undecane
SMILESC=C1CCCCCC12CCCC2
InChIInChI=1S/C12H20/c1-11-7-3-2-4-8-12(11)9-5-6-10-12/h1-10H2
InChIKeySZQSEOZXJBYYCX-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.07
Rot. Bonds

About 11-methylidenespiro[4.6]undecane

11-methylidenespiro[4.6]undecane (PubChem CID 10964861) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 11-methylidenespiro[4.6]undecane.

Molecular Properties

Compound Name11-methylidenespiro[4.6]undecane
PubChem CID10964861
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name11-methylidenespiro[4.6]undecane
SMILESC=C1CCCCCC12CCCC2
InChIInChI=1S/C12H20/c1-11-7-3-2-4-8-12(11)9-5-6-10-12/h1-10H2
InChIKeySZQSEOZXJBYYCX-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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Frequently Asked Questions

What is the IUPAC name of 11-methylidenespiro[4.6]undecane?
The IUPAC name of 11-methylidenespiro[4.6]undecane (CID 10964861) is 11-methylidenespiro[4.6]undecane.
What is the SMILES notation for 11-methylidenespiro[4.6]undecane?
The canonical SMILES for 11-methylidenespiro[4.6]undecane is C=C1CCCCCC12CCCC2.
What is the InChIKey of 11-methylidenespiro[4.6]undecane?
The InChIKey is SZQSEOZXJBYYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-11-7-3-2-4-8-12(11)9-5-6-10-12/h1-10H2.
What are the key properties of 11-methylidenespiro[4.6]undecane?
11-methylidenespiro[4.6]undecane 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 11-methylidenespiro[4.6]undecane is sourced from PubChem (CID 10964861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).