2-propylspiro[2.2]pentane

C8H14 — CID 549029

IUPAC2-propylspiro[2.2]pentane
SMILESCCCC1CC12CC2
InChIInChI=1S/C8H14/c1-2-3-7-6-8(7)4-5-8/h7H,2-6H2,1H3
InChIKeyGTCQHSGGNVBUGB-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.59
Rot. Bonds2

About 2-propylspiro[2.2]pentane

2-propylspiro[2.2]pentane (PubChem CID 549029) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 2-propylspiro[2.2]pentane.

Molecular Properties

Compound Name2-propylspiro[2.2]pentane
PubChem CID549029
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name2-propylspiro[2.2]pentane
SMILESCCCC1CC12CC2
InChIInChI=1S/C8H14/c1-2-3-7-6-8(7)4-5-8/h7H,2-6H2,1H3
InChIKeyGTCQHSGGNVBUGB-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-propylspiro[2.2]pentane?
The IUPAC name of 2-propylspiro[2.2]pentane (CID 549029) is 2-propylspiro[2.2]pentane.
What is the SMILES notation for 2-propylspiro[2.2]pentane?
The canonical SMILES for 2-propylspiro[2.2]pentane is CCCC1CC12CC2.
What is the InChIKey of 2-propylspiro[2.2]pentane?
The InChIKey is GTCQHSGGNVBUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-2-3-7-6-8(7)4-5-8/h7H,2-6H2,1H3.
What are the key properties of 2-propylspiro[2.2]pentane?
2-propylspiro[2.2]pentane has a molecular weight of 110.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylspiro[2.2]pentane is sourced from PubChem (CID 549029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).