7-ethyl-5-methyl-8-methylidenespiro[2.5]octane

C12H20 — CID 123169354

IUPAC7-ethyl-5-methyl-8-methylidenespiro[2.5]octane
SMILESC=C1C(CC)CC(C)CC12CC2
InChIInChI=1S/C12H20/c1-4-11-7-9(2)8-12(5-6-12)10(11)3/h9,11H,3-8H2,1-2H3
InChIKeyGMHOIGJTLYLUPM-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.78
Rot. Bonds1

About 7-ethyl-5-methyl-8-methylidenespiro[2.5]octane

7-ethyl-5-methyl-8-methylidenespiro[2.5]octane (PubChem CID 123169354) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 7-ethyl-5-methyl-8-methylidenespiro[2.5]octane.

Molecular Properties

Compound Name7-ethyl-5-methyl-8-methylidenespiro[2.5]octane
PubChem CID123169354
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name7-ethyl-5-methyl-8-methylidenespiro[2.5]octane
SMILESC=C1C(CC)CC(C)CC12CC2
InChIInChI=1S/C12H20/c1-4-11-7-9(2)8-12(5-6-12)10(11)3/h9,11H,3-8H2,1-2H3
InChIKeyGMHOIGJTLYLUPM-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.78
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 7-ethyl-5-methyl-8-methylidenespiro[2.5]octane?
The IUPAC name of 7-ethyl-5-methyl-8-methylidenespiro[2.5]octane (CID 123169354) is 7-ethyl-5-methyl-8-methylidenespiro[2.5]octane.
What is the SMILES notation for 7-ethyl-5-methyl-8-methylidenespiro[2.5]octane?
The canonical SMILES for 7-ethyl-5-methyl-8-methylidenespiro[2.5]octane is C=C1C(CC)CC(C)CC12CC2.
What is the InChIKey of 7-ethyl-5-methyl-8-methylidenespiro[2.5]octane?
The InChIKey is GMHOIGJTLYLUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-11-7-9(2)8-12(5-6-12)10(11)3/h9,11H,3-8H2,1-2H3.
What are the key properties of 7-ethyl-5-methyl-8-methylidenespiro[2.5]octane?
7-ethyl-5-methyl-8-methylidenespiro[2.5]octane has a molecular weight of 164.29 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-methyl-8-methylidenespiro[2.5]octane is sourced from PubChem (CID 123169354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).