1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid

C14H22O4 — CID 90238575

IUPAC1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid
SMILESO=C(OC1(C(=O)O)CCCCC1)C1CCCCC1
InChIInChI=1S/C14H22O4/c15-12(11-7-3-1-4-8-11)18-14(13(16)17)9-5-2-6-10-14/h11H,1-10H2,(H,16,17)
InChIKeyDAWVEQIECDBITC-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.90
Rot. Bonds3

About 1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid

1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid (PubChem CID 90238575) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid
PubChem CID90238575
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid
SMILESO=C(OC1(C(=O)O)CCCCC1)C1CCCCC1
InChIInChI=1S/C14H22O4/c15-12(11-7-3-1-4-8-11)18-14(13(16)17)9-5-2-6-10-14/h11H,1-10H2,(H,16,17)
InChIKeyDAWVEQIECDBITC-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid (CID 90238575) is 1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid is O=C(OC1(C(=O)O)CCCCC1)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid?
The InChIKey is DAWVEQIECDBITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c15-12(11-7-3-1-4-8-11)18-14(13(16)17)9-5-2-6-10-14/h11H,1-10H2,(H,16,17).
What are the key properties of 1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid?
1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 90238575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).