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

C12H22 — CID 123662454

IUPAC5-ethyl-1,2,7-trimethylspiro[2.4]heptane
SMILESCCC1CC(C)C2(C1)C(C)C2C
InChIInChI=1S/C12H22/c1-5-11-6-8(2)12(7-11)9(3)10(12)4/h8-11H,5-7H2,1-4H3
InChIKeyUCDIDHJZKARLQC-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds1

About 5-ethyl-1,2,7-trimethylspiro[2.4]heptane

5-ethyl-1,2,7-trimethylspiro[2.4]heptane (PubChem CID 123662454) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 5-ethyl-1,2,7-trimethylspiro[2.4]heptane.

Molecular Properties

Compound Name5-ethyl-1,2,7-trimethylspiro[2.4]heptane
PubChem CID123662454
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name5-ethyl-1,2,7-trimethylspiro[2.4]heptane
SMILESCCC1CC(C)C2(C1)C(C)C2C
InChIInChI=1S/C12H22/c1-5-11-6-8(2)12(7-11)9(3)10(12)4/h8-11H,5-7H2,1-4H3
InChIKeyUCDIDHJZKARLQC-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

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(2S)-4-ethyl-1,2-dimethylcyclopentane
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(1S,5R)-3-ethylbicyclo[3.1.0]hexane
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trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane
CID 91053391
3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
CID 22755364
1-ethyl-3-methylcyclopentane;methane
CID 144878558
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800
ethane;1-ethyl-3-methylcyclopentane;methane
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trans-(1S,3S)-1-ethyl-3-methylcyclohexane
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,7-trimethylspiro[2.4]heptane?
The IUPAC name of 5-ethyl-1,2,7-trimethylspiro[2.4]heptane (CID 123662454) is 5-ethyl-1,2,7-trimethylspiro[2.4]heptane.
What is the SMILES notation for 5-ethyl-1,2,7-trimethylspiro[2.4]heptane?
The canonical SMILES for 5-ethyl-1,2,7-trimethylspiro[2.4]heptane is CCC1CC(C)C2(C1)C(C)C2C.
What is the InChIKey of 5-ethyl-1,2,7-trimethylspiro[2.4]heptane?
The InChIKey is UCDIDHJZKARLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-11-6-8(2)12(7-11)9(3)10(12)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 5-ethyl-1,2,7-trimethylspiro[2.4]heptane?
5-ethyl-1,2,7-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 5-ethyl-1,2,7-trimethylspiro[2.4]heptane is sourced from PubChem (CID 123662454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).