spiro[5.6]dodecane-12-carboxylic acid

C13H22O2 — CID 59513338

IUPACspiro[5.6]dodecane-12-carboxylic acid
SMILESO=C(O)C1CCCCCC12CCCCC2
InChIInChI=1S/C13H22O2/c14-12(15)11-7-3-1-4-8-13(11)9-5-2-6-10-13/h11H,1-10H2,(H,14,15)
InChIKeyLTNLSJJDPNUHTL-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.60
Rot. Bonds1

About spiro[5.6]dodecane-12-carboxylic acid

spiro[5.6]dodecane-12-carboxylic acid (PubChem CID 59513338) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is spiro[5.6]dodecane-12-carboxylic acid.

Molecular Properties

Compound Namespiro[5.6]dodecane-12-carboxylic acid
PubChem CID59513338
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namespiro[5.6]dodecane-12-carboxylic acid
SMILESO=C(O)C1CCCCCC12CCCCC2
InChIInChI=1S/C13H22O2/c14-12(15)11-7-3-1-4-8-13(11)9-5-2-6-10-13/h11H,1-10H2,(H,14,15)
InChIKeyLTNLSJJDPNUHTL-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[5.6]dodecane-12-carboxylic acid?
The IUPAC name of spiro[5.6]dodecane-12-carboxylic acid (CID 59513338) is spiro[5.6]dodecane-12-carboxylic acid.
What is the SMILES notation for spiro[5.6]dodecane-12-carboxylic acid?
The canonical SMILES for spiro[5.6]dodecane-12-carboxylic acid is O=C(O)C1CCCCCC12CCCCC2.
What is the InChIKey of spiro[5.6]dodecane-12-carboxylic acid?
The InChIKey is LTNLSJJDPNUHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-12(15)11-7-3-1-4-8-13(11)9-5-2-6-10-13/h11H,1-10H2,(H,14,15).
What are the key properties of spiro[5.6]dodecane-12-carboxylic acid?
spiro[5.6]dodecane-12-carboxylic acid has a molecular weight of 210.32 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.6]dodecane-12-carboxylic acid is sourced from PubChem (CID 59513338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).