7-methoxyspiro[3.3]heptane-2-carboxylic acid

C9H14O3 — CID 146049404

IUPAC7-methoxyspiro[3.3]heptane-2-carboxylic acid
SMILESCOC1CCC12CC(C(=O)O)C2
InChIInChI=1S/C9H14O3/c1-12-7-2-3-9(7)4-6(5-9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyBOAKGMKCXVTYOM-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds2

About 7-methoxyspiro[3.3]heptane-2-carboxylic acid

7-methoxyspiro[3.3]heptane-2-carboxylic acid (PubChem CID 146049404) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 7-methoxyspiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxyspiro[3.3]heptane-2-carboxylic acid
PubChem CID146049404
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name7-methoxyspiro[3.3]heptane-2-carboxylic acid
SMILESCOC1CCC12CC(C(=O)O)C2
InChIInChI=1S/C9H14O3/c1-12-7-2-3-9(7)4-6(5-9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyBOAKGMKCXVTYOM-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[3.3]heptane-2-carboxylic acid?
The IUPAC name of 7-methoxyspiro[3.3]heptane-2-carboxylic acid (CID 146049404) is 7-methoxyspiro[3.3]heptane-2-carboxylic acid.
What is the SMILES notation for 7-methoxyspiro[3.3]heptane-2-carboxylic acid?
The canonical SMILES for 7-methoxyspiro[3.3]heptane-2-carboxylic acid is COC1CCC12CC(C(=O)O)C2.
What is the InChIKey of 7-methoxyspiro[3.3]heptane-2-carboxylic acid?
The InChIKey is BOAKGMKCXVTYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-12-7-2-3-9(7)4-6(5-9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11).
What are the key properties of 7-methoxyspiro[3.3]heptane-2-carboxylic acid?
7-methoxyspiro[3.3]heptane-2-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 146049404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).