spiro[3.4]octane-8-carboxylic acid

C9H14O2 — CID 83905140

IUPACspiro[3.4]octane-8-carboxylic acid
SMILESO=C(O)C1CCCC12CCC2
InChIInChI=1S/C9H14O2/c10-8(11)7-3-1-4-9(7)5-2-6-9/h7H,1-6H2,(H,10,11)
InChIKeyDFMFCXHBAMTXTL-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.04
Rot. Bonds1

About spiro[3.4]octane-8-carboxylic acid

spiro[3.4]octane-8-carboxylic acid (PubChem CID 83905140) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is spiro[3.4]octane-8-carboxylic acid.

Molecular Properties

Compound Namespiro[3.4]octane-8-carboxylic acid
PubChem CID83905140
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namespiro[3.4]octane-8-carboxylic acid
SMILESO=C(O)C1CCCC12CCC2
InChIInChI=1S/C9H14O2/c10-8(11)7-3-1-4-9(7)5-2-6-9/h7H,1-6H2,(H,10,11)
InChIKeyDFMFCXHBAMTXTL-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[3.4]octane-8-carboxylic acid?
The IUPAC name of spiro[3.4]octane-8-carboxylic acid (CID 83905140) is spiro[3.4]octane-8-carboxylic acid.
What is the SMILES notation for spiro[3.4]octane-8-carboxylic acid?
The canonical SMILES for spiro[3.4]octane-8-carboxylic acid is O=C(O)C1CCCC12CCC2.
What is the InChIKey of spiro[3.4]octane-8-carboxylic acid?
The InChIKey is DFMFCXHBAMTXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-8(11)7-3-1-4-9(7)5-2-6-9/h7H,1-6H2,(H,10,11).
What are the key properties of spiro[3.4]octane-8-carboxylic acid?
spiro[3.4]octane-8-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.4]octane-8-carboxylic acid is sourced from PubChem (CID 83905140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).