4-hydroxycyclododecane-1-carboxylic acid

C13H24O3 — CID 23321574

IUPAC4-hydroxycyclododecane-1-carboxylic acid
SMILESO=C(O)C1CCCCCCCCC(O)CC1
InChIInChI=1S/C13H24O3/c14-12-8-6-4-2-1-3-5-7-11(9-10-12)13(15)16/h11-12,14H,1-10H2,(H,15,16)
InChIKeyPLPLHXVEUITHQZ-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.96
Rot. Bonds1

About 4-hydroxycyclododecane-1-carboxylic acid

4-hydroxycyclododecane-1-carboxylic acid (PubChem CID 23321574) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 4-hydroxycyclododecane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxycyclododecane-1-carboxylic acid
PubChem CID23321574
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name4-hydroxycyclododecane-1-carboxylic acid
SMILESO=C(O)C1CCCCCCCCC(O)CC1
InChIInChI=1S/C13H24O3/c14-12-8-6-4-2-1-3-5-7-11(9-10-12)13(15)16/h11-12,14H,1-10H2,(H,15,16)
InChIKeyPLPLHXVEUITHQZ-UHFFFAOYSA-N
XLogP2.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;octahydrate
CID 175413747
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
CID 53471629
CID 53471629
cyclopentanecarboxylic acid
CID 18840
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
cyclopentanecarboxylic acid;indigane
CID 173230713
sodium 4-hydroxycyclododecane-1-carboxylate
CID 23699033
chloromethane;cyclohexanecarboxylic acid
CID 160928112

Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclododecane-1-carboxylic acid?
The IUPAC name of 4-hydroxycyclododecane-1-carboxylic acid (CID 23321574) is 4-hydroxycyclododecane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxycyclododecane-1-carboxylic acid?
The canonical SMILES for 4-hydroxycyclododecane-1-carboxylic acid is O=C(O)C1CCCCCCCCC(O)CC1.
What is the InChIKey of 4-hydroxycyclododecane-1-carboxylic acid?
The InChIKey is PLPLHXVEUITHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c14-12-8-6-4-2-1-3-5-7-11(9-10-12)13(15)16/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of 4-hydroxycyclododecane-1-carboxylic acid?
4-hydroxycyclododecane-1-carboxylic acid has a molecular weight of 228.33 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxycyclododecane-1-carboxylic acid is sourced from PubChem (CID 23321574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).