spiro[2.4]heptane

C7H12 — CID 12657448

IUPACspiro[2.4]heptane
SMILESC1CCC2(C1)CC2
InChIInChI=1S/C7H12/c1-2-4-7(3-1)5-6-7/h1-6H2
InChIKeyHEMCGZPSGYRIOL-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.34
Rot. Bonds

About spiro[2.4]heptane

spiro[2.4]heptane (PubChem CID 12657448) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is spiro[2.4]heptane.

Molecular Properties

Compound Namespiro[2.4]heptane
PubChem CID12657448
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Namespiro[2.4]heptane
SMILESC1CCC2(C1)CC2
InChIInChI=1S/C7H12/c1-2-4-7(3-1)5-6-7/h1-6H2
InChIKeyHEMCGZPSGYRIOL-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of spiro[2.4]heptane?
The IUPAC name of spiro[2.4]heptane (CID 12657448) is spiro[2.4]heptane.
What is the SMILES notation for spiro[2.4]heptane?
The canonical SMILES for spiro[2.4]heptane is C1CCC2(C1)CC2.
What is the InChIKey of spiro[2.4]heptane?
The InChIKey is HEMCGZPSGYRIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-2-4-7(3-1)5-6-7/h1-6H2.
What are the key properties of spiro[2.4]heptane?
spiro[2.4]heptane has a molecular weight of 96.17 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.4]heptane is sourced from PubChem (CID 12657448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).