2-spiro[4.5]decan-9-ylacetic acid

C12H20O2 — CID 150402729

IUPAC2-spiro[4.5]decan-9-ylacetic acid
SMILESO=C(O)CC1CCCC2(CCCC2)C1
InChIInChI=1S/C12H20O2/c13-11(14)8-10-4-3-7-12(9-10)5-1-2-6-12/h10H,1-9H2,(H,13,14)
InChIKeyHECMGSWVCYVTSE-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.21
Rot. Bonds2

About 2-spiro[4.5]decan-9-ylacetic acid

2-spiro[4.5]decan-9-ylacetic acid (PubChem CID 150402729) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-spiro[4.5]decan-9-ylacetic acid.

Molecular Properties

Compound Name2-spiro[4.5]decan-9-ylacetic acid
PubChem CID150402729
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-spiro[4.5]decan-9-ylacetic acid
SMILESO=C(O)CC1CCCC2(CCCC2)C1
InChIInChI=1S/C12H20O2/c13-11(14)8-10-4-3-7-12(9-10)5-1-2-6-12/h10H,1-9H2,(H,13,14)
InChIKeyHECMGSWVCYVTSE-UHFFFAOYSA-N
XLogP3.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[4.5]decan-9-ylacetic acid?
The IUPAC name of 2-spiro[4.5]decan-9-ylacetic acid (CID 150402729) is 2-spiro[4.5]decan-9-ylacetic acid.
What is the SMILES notation for 2-spiro[4.5]decan-9-ylacetic acid?
The canonical SMILES for 2-spiro[4.5]decan-9-ylacetic acid is O=C(O)CC1CCCC2(CCCC2)C1.
What is the InChIKey of 2-spiro[4.5]decan-9-ylacetic acid?
The InChIKey is HECMGSWVCYVTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-11(14)8-10-4-3-7-12(9-10)5-1-2-6-12/h10H,1-9H2,(H,13,14).
What are the key properties of 2-spiro[4.5]decan-9-ylacetic acid?
2-spiro[4.5]decan-9-ylacetic acid has a molecular weight of 196.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[4.5]decan-9-ylacetic acid is sourced from PubChem (CID 150402729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).