cyclohexyloxycarbonyl cyclohexanecarboxylate

C14H22O4 — CID 57310002

IUPACcyclohexyloxycarbonyl cyclohexanecarboxylate
SMILESO=C(OC(=O)C1CCCCC1)OC1CCCCC1
InChIInChI=1S/C14H22O4/c15-13(11-7-3-1-4-8-11)18-14(16)17-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyHFEZAPMZWRMLNV-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.58
Rot. Bonds2

About cyclohexyloxycarbonyl cyclohexanecarboxylate

cyclohexyloxycarbonyl cyclohexanecarboxylate (PubChem CID 57310002) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is cyclohexyloxycarbonyl cyclohexanecarboxylate.

Molecular Properties

Compound Namecyclohexyloxycarbonyl cyclohexanecarboxylate
PubChem CID57310002
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Namecyclohexyloxycarbonyl cyclohexanecarboxylate
SMILESO=C(OC(=O)C1CCCCC1)OC1CCCCC1
InChIInChI=1S/C14H22O4/c15-13(11-7-3-1-4-8-11)18-14(16)17-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyHFEZAPMZWRMLNV-UHFFFAOYSA-N
XLogP3.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyloxycarbonyl cyclohexanecarboxylate?
The IUPAC name of cyclohexyloxycarbonyl cyclohexanecarboxylate (CID 57310002) is cyclohexyloxycarbonyl cyclohexanecarboxylate.
What is the SMILES notation for cyclohexyloxycarbonyl cyclohexanecarboxylate?
The canonical SMILES for cyclohexyloxycarbonyl cyclohexanecarboxylate is O=C(OC(=O)C1CCCCC1)OC1CCCCC1.
What is the InChIKey of cyclohexyloxycarbonyl cyclohexanecarboxylate?
The InChIKey is HFEZAPMZWRMLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c15-13(11-7-3-1-4-8-11)18-14(16)17-12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of cyclohexyloxycarbonyl cyclohexanecarboxylate?
cyclohexyloxycarbonyl cyclohexanecarboxylate has a molecular weight of 254.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxycarbonyl cyclohexanecarboxylate is sourced from PubChem (CID 57310002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).