5,6-diethyl-2,7-dimethylspiro[2.4]heptane

C13H24 — CID 123890098

IUPAC5,6-diethyl-2,7-dimethylspiro[2.4]heptane
SMILESCCC1CC2(CC2C)C(C)C1CC
InChIInChI=1S/C13H24/c1-5-11-8-13(7-9(13)3)10(4)12(11)6-2/h9-12H,5-8H2,1-4H3
InChIKeyJERSPKAPHHENOB-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.10
Rot. Bonds2

About 5,6-diethyl-2,7-dimethylspiro[2.4]heptane

5,6-diethyl-2,7-dimethylspiro[2.4]heptane (PubChem CID 123890098) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 5,6-diethyl-2,7-dimethylspiro[2.4]heptane.

Molecular Properties

Compound Name5,6-diethyl-2,7-dimethylspiro[2.4]heptane
PubChem CID123890098
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name5,6-diethyl-2,7-dimethylspiro[2.4]heptane
SMILESCCC1CC2(CC2C)C(C)C1CC
InChIInChI=1S/C13H24/c1-5-11-8-13(7-9(13)3)10(4)12(11)6-2/h9-12H,5-8H2,1-4H3
InChIKeyJERSPKAPHHENOB-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane
CID 123434058
5-ethyl-2,2,4,7,7-pentamethylazocane
CID 70943103
5,6-diethylspiro[2.4]heptane
CID 177192839
3-ethyl-1,1,2-trimethylcyclopentane
CID 123564312
1,1,3-triethyl-2-methylcyclopentane
CID 123903996
4,5-diethyl-1,2,2,6,8,8-hexamethylazonane
CID 71091409
2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane
CID 91053391
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,3-diethyl-2-methylcyclopentane
CID 123589151
5-ethyl-1,2,7-trimethylspiro[2.4]heptane
CID 123662454

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-2,7-dimethylspiro[2.4]heptane?
The IUPAC name of 5,6-diethyl-2,7-dimethylspiro[2.4]heptane (CID 123890098) is 5,6-diethyl-2,7-dimethylspiro[2.4]heptane.
What is the SMILES notation for 5,6-diethyl-2,7-dimethylspiro[2.4]heptane?
The canonical SMILES for 5,6-diethyl-2,7-dimethylspiro[2.4]heptane is CCC1CC2(CC2C)C(C)C1CC.
What is the InChIKey of 5,6-diethyl-2,7-dimethylspiro[2.4]heptane?
The InChIKey is JERSPKAPHHENOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-11-8-13(7-9(13)3)10(4)12(11)6-2/h9-12H,5-8H2,1-4H3.
What are the key properties of 5,6-diethyl-2,7-dimethylspiro[2.4]heptane?
5,6-diethyl-2,7-dimethylspiro[2.4]heptane has a molecular weight of 180.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-2,7-dimethylspiro[2.4]heptane is sourced from PubChem (CID 123890098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).