2-butylspiro[2.2]pentane

C9H16 — CID 22566

IUPAC2-butylspiro[2.2]pentane
SMILESCCCCC1CC12CC2
InChIInChI=1S/C9H16/c1-2-3-4-8-7-9(8)5-6-9/h8H,2-7H2,1H3
InChIKeyTYYFRIFTXPYWNJ-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.98
Rot. Bonds3

About 2-butylspiro[2.2]pentane

2-butylspiro[2.2]pentane (PubChem CID 22566) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 2-butylspiro[2.2]pentane.

Molecular Properties

Compound Name2-butylspiro[2.2]pentane
PubChem CID22566
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name2-butylspiro[2.2]pentane
SMILESCCCCC1CC12CC2
InChIInChI=1S/C9H16/c1-2-3-4-8-7-9(8)5-6-9/h8H,2-7H2,1H3
InChIKeyTYYFRIFTXPYWNJ-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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 2-butylspiro[2.2]pentane?
The IUPAC name of 2-butylspiro[2.2]pentane (CID 22566) is 2-butylspiro[2.2]pentane.
What is the SMILES notation for 2-butylspiro[2.2]pentane?
The canonical SMILES for 2-butylspiro[2.2]pentane is CCCCC1CC12CC2.
What is the InChIKey of 2-butylspiro[2.2]pentane?
The InChIKey is TYYFRIFTXPYWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-2-3-4-8-7-9(8)5-6-9/h8H,2-7H2,1H3.
What are the key properties of 2-butylspiro[2.2]pentane?
2-butylspiro[2.2]pentane has a molecular weight of 124.23 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylspiro[2.2]pentane is sourced from PubChem (CID 22566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).