7-ethyl-1,2,6-trimethylspiro[2.4]heptane

C12H22 — CID 123881031

IUPAC7-ethyl-1,2,6-trimethylspiro[2.4]heptane
SMILESCCC1C(C)CCC12C(C)C2C
InChIInChI=1S/C12H22/c1-5-11-8(2)6-7-12(11)9(3)10(12)4/h8-11H,5-7H2,1-4H3
InChIKeyLRRBWPHGSRKTNX-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds1

About 7-ethyl-1,2,6-trimethylspiro[2.4]heptane

7-ethyl-1,2,6-trimethylspiro[2.4]heptane (PubChem CID 123881031) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 7-ethyl-1,2,6-trimethylspiro[2.4]heptane.

Molecular Properties

Compound Name7-ethyl-1,2,6-trimethylspiro[2.4]heptane
PubChem CID123881031
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name7-ethyl-1,2,6-trimethylspiro[2.4]heptane
SMILESCCC1C(C)CCC12C(C)C2C
InChIInChI=1S/C12H22/c1-5-11-8(2)6-7-12(11)9(3)10(12)4/h8-11H,5-7H2,1-4H3
InChIKeyLRRBWPHGSRKTNX-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(6R,7R)-8-ethyl-6,7-dimethylspiro[2.5]octane
CID 163836831
1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 58078441
1,1,3-trimethyl-2-propylcyclopentane
CID 154529227
2-ethyltricyclo[4.2.0.01,3]octane
CID 123607401
(8aR)-1-ethyl-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 91148268
1,2,3-trimethyl-1-propylcyclopentane
CID 91062709
1,2-dimethylcyclopropane;propane
CID 143337919
7-ethyl-1-methylbicyclo[2.2.1]heptane
CID 143617242
7-ethyl-4,6-dimethyl-4-azaspiro[2.4]heptane
CID 170146648
3-ethyl-1,1,2-trimethylcyclopentane
CID 123564312
1,1,3-triethyl-2-methylcyclopentane
CID 123903996
1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 123428018

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,2,6-trimethylspiro[2.4]heptane?
The IUPAC name of 7-ethyl-1,2,6-trimethylspiro[2.4]heptane (CID 123881031) is 7-ethyl-1,2,6-trimethylspiro[2.4]heptane.
What is the SMILES notation for 7-ethyl-1,2,6-trimethylspiro[2.4]heptane?
The canonical SMILES for 7-ethyl-1,2,6-trimethylspiro[2.4]heptane is CCC1C(C)CCC12C(C)C2C.
What is the InChIKey of 7-ethyl-1,2,6-trimethylspiro[2.4]heptane?
The InChIKey is LRRBWPHGSRKTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-11-8(2)6-7-12(11)9(3)10(12)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 7-ethyl-1,2,6-trimethylspiro[2.4]heptane?
7-ethyl-1,2,6-trimethylspiro[2.4]heptane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,2,6-trimethylspiro[2.4]heptane is sourced from PubChem (CID 123881031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).