5,6-diethylspiro[2.4]heptane

C11H20 — CID 177192839

IUPAC5,6-diethylspiro[2.4]heptane
SMILESCCC1CC2(CC2)CC1CC
InChIInChI=1S/C11H20/c1-3-9-7-11(5-6-11)8-10(9)4-2/h9-10H,3-8H2,1-2H3
InChIKeyRPGKGAQSFRFUHQ-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds2

About 5,6-diethylspiro[2.4]heptane

5,6-diethylspiro[2.4]heptane (PubChem CID 177192839) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 5,6-diethylspiro[2.4]heptane.

Molecular Properties

Compound Name5,6-diethylspiro[2.4]heptane
PubChem CID177192839
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name5,6-diethylspiro[2.4]heptane
SMILESCCC1CC2(CC2)CC1CC
InChIInChI=1S/C11H20/c1-3-9-7-11(5-6-11)8-10(9)4-2/h9-10H,3-8H2,1-2H3
InChIKeyRPGKGAQSFRFUHQ-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethylspiro[2.4]heptane?
The IUPAC name of 5,6-diethylspiro[2.4]heptane (CID 177192839) is 5,6-diethylspiro[2.4]heptane.
What is the SMILES notation for 5,6-diethylspiro[2.4]heptane?
The canonical SMILES for 5,6-diethylspiro[2.4]heptane is CCC1CC2(CC2)CC1CC.
What is the InChIKey of 5,6-diethylspiro[2.4]heptane?
The InChIKey is RPGKGAQSFRFUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-9-7-11(5-6-11)8-10(9)4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 5,6-diethylspiro[2.4]heptane?
5,6-diethylspiro[2.4]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethylspiro[2.4]heptane is sourced from PubChem (CID 177192839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).