1-ethenoxycarbonylcyclodecane-1-carboxylic acid

C14H22O4 — CID 175549049

IUPAC1-ethenoxycarbonylcyclodecane-1-carboxylic acid
SMILESC=COC(=O)C1(C(=O)O)CCCCCCCCC1
InChIInChI=1S/C14H22O4/c1-2-18-13(17)14(12(15)16)10-8-6-4-3-5-7-9-11-14/h2H,1,3-11H2,(H,15,16)
InChIKeyBUMGHXGKARPVMI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.27
Rot. Bonds3

About 1-ethenoxycarbonylcyclodecane-1-carboxylic acid

1-ethenoxycarbonylcyclodecane-1-carboxylic acid (PubChem CID 175549049) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-ethenoxycarbonylcyclodecane-1-carboxylic acid.

Molecular Properties

Compound Name1-ethenoxycarbonylcyclodecane-1-carboxylic acid
PubChem CID175549049
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1-ethenoxycarbonylcyclodecane-1-carboxylic acid
SMILESC=COC(=O)C1(C(=O)O)CCCCCCCCC1
InChIInChI=1S/C14H22O4/c1-2-18-13(17)14(12(15)16)10-8-6-4-3-5-7-9-11-14/h2H,1,3-11H2,(H,15,16)
InChIKeyBUMGHXGKARPVMI-UHFFFAOYSA-N
XLogP3.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 18521139
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cadmium;cyclohexane-1,1-dicarboxylic acid
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alumane;cyclohexane-1,1-dicarboxylic acid
CID 175587551
cyclohexane-1,1-dicarboxylic acid;zinc
CID 134612672
1-(1-hydroxycyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
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1-(1-hydroxyethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 175054527
cyclohexane;cyclohexane-1,1-dicarboxylic acid;methanol
CID 67028840
cyclopentane-1,1-dicarboxylic acid;dihydrobromide
CID 90449229
1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid
CID 90449500
1-prop-1-en-2-ylcyclohexane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxycarbonylcyclodecane-1-carboxylic acid?
The IUPAC name of 1-ethenoxycarbonylcyclodecane-1-carboxylic acid (CID 175549049) is 1-ethenoxycarbonylcyclodecane-1-carboxylic acid.
What is the SMILES notation for 1-ethenoxycarbonylcyclodecane-1-carboxylic acid?
The canonical SMILES for 1-ethenoxycarbonylcyclodecane-1-carboxylic acid is C=COC(=O)C1(C(=O)O)CCCCCCCCC1.
What is the InChIKey of 1-ethenoxycarbonylcyclodecane-1-carboxylic acid?
The InChIKey is BUMGHXGKARPVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-2-18-13(17)14(12(15)16)10-8-6-4-3-5-7-9-11-14/h2H,1,3-11H2,(H,15,16).
What are the key properties of 1-ethenoxycarbonylcyclodecane-1-carboxylic acid?
1-ethenoxycarbonylcyclodecane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxycarbonylcyclodecane-1-carboxylic acid is sourced from PubChem (CID 175549049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).