(2R)-2-ethylspiro[2.4]heptane

C9H16 — CID 147630807

IUPAC(2R)-2-ethylspiro[2.4]heptane
SMILESCC[C@@H]1CC12CCCC2
InChIInChI=1S/C9H16/c1-2-8-7-9(8)5-3-4-6-9/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeySPOJPFWMWFYXKC-MRVPVSSYSA-N
MW124.23 g/mol
LogP2.98
Rot. Bonds1

About (2R)-2-ethylspiro[2.4]heptane

(2R)-2-ethylspiro[2.4]heptane (PubChem CID 147630807) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (2R)-2-ethylspiro[2.4]heptane.

Molecular Properties

Compound Name(2R)-2-ethylspiro[2.4]heptane
PubChem CID147630807
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(2R)-2-ethylspiro[2.4]heptane
SMILESCC[C@@H]1CC12CCCC2
InChIInChI=1S/C9H16/c1-2-8-7-9(8)5-3-4-6-9/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeySPOJPFWMWFYXKC-MRVPVSSYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethylspiro[2.4]heptane?
The IUPAC name of (2R)-2-ethylspiro[2.4]heptane (CID 147630807) is (2R)-2-ethylspiro[2.4]heptane.
What is the SMILES notation for (2R)-2-ethylspiro[2.4]heptane?
The canonical SMILES for (2R)-2-ethylspiro[2.4]heptane is CC[C@@H]1CC12CCCC2.
What is the InChIKey of (2R)-2-ethylspiro[2.4]heptane?
The InChIKey is SPOJPFWMWFYXKC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16/c1-2-8-7-9(8)5-3-4-6-9/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-ethylspiro[2.4]heptane?
(2R)-2-ethylspiro[2.4]heptane has a molecular weight of 124.23 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethylspiro[2.4]heptane is sourced from PubChem (CID 147630807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).