4-prop-2-enoylcycloundecane-1-carboxylic acid

C15H24O3 — CID 167291124

IUPAC4-prop-2-enoylcycloundecane-1-carboxylic acid
SMILESC=CC(=O)C1CCCCCCCC(C(=O)O)CC1
InChIInChI=1S/C15H24O3/c1-2-14(16)12-8-6-4-3-5-7-9-13(11-10-12)15(17)18/h2,12-13H,1,3-11H2,(H,17,18)
InChIKeyUGQLFOOMJKAYHW-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.58
Rot. Bonds3

About 4-prop-2-enoylcycloundecane-1-carboxylic acid

4-prop-2-enoylcycloundecane-1-carboxylic acid (PubChem CID 167291124) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-prop-2-enoylcycloundecane-1-carboxylic acid.

Molecular Properties

Compound Name4-prop-2-enoylcycloundecane-1-carboxylic acid
PubChem CID167291124
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-prop-2-enoylcycloundecane-1-carboxylic acid
SMILESC=CC(=O)C1CCCCCCCC(C(=O)O)CC1
InChIInChI=1S/C15H24O3/c1-2-14(16)12-8-6-4-3-5-7-9-13(11-10-12)15(17)18/h2,12-13H,1,3-11H2,(H,17,18)
InChIKeyUGQLFOOMJKAYHW-UHFFFAOYSA-N
XLogP3.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-prop-2-enoylcyclooctane-1-carboxylic acid
CID 138456010
5-prop-2-enoylcyclooctane-1-carboxylic acid
CID 155138380
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

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoylcycloundecane-1-carboxylic acid?
The IUPAC name of 4-prop-2-enoylcycloundecane-1-carboxylic acid (CID 167291124) is 4-prop-2-enoylcycloundecane-1-carboxylic acid.
What is the SMILES notation for 4-prop-2-enoylcycloundecane-1-carboxylic acid?
The canonical SMILES for 4-prop-2-enoylcycloundecane-1-carboxylic acid is C=CC(=O)C1CCCCCCCC(C(=O)O)CC1.
What is the InChIKey of 4-prop-2-enoylcycloundecane-1-carboxylic acid?
The InChIKey is UGQLFOOMJKAYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-14(16)12-8-6-4-3-5-7-9-13(11-10-12)15(17)18/h2,12-13H,1,3-11H2,(H,17,18).
What are the key properties of 4-prop-2-enoylcycloundecane-1-carboxylic acid?
4-prop-2-enoylcycloundecane-1-carboxylic acid has a molecular weight of 252.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoylcycloundecane-1-carboxylic acid is sourced from PubChem (CID 167291124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).