cyclohexanecarbaldehyde;ethyl formate

C10H18O3 — CID 175526920

IUPACcyclohexanecarbaldehyde;ethyl formate
SMILESCCOC=O.O=CC1CCCCC1
InChIInChI=1S/C7H12O.C3H6O2/c8-6-7-4-2-1-3-5-7;1-2-5-3-4/h6-7H,1-5H2;3H,2H2,1H3
InChIKeyLTKGCPUEHHRUNV-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.94
Rot. Bonds3

About cyclohexanecarbaldehyde;ethyl formate

cyclohexanecarbaldehyde;ethyl formate (PubChem CID 175526920) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cyclohexanecarbaldehyde;ethyl formate.

Molecular Properties

Compound Namecyclohexanecarbaldehyde;ethyl formate
PubChem CID175526920
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecyclohexanecarbaldehyde;ethyl formate
SMILESCCOC=O.O=CC1CCCCC1
InChIInChI=1S/C7H12O.C3H6O2/c8-6-7-4-2-1-3-5-7;1-2-5-3-4/h6-7H,1-5H2;3H,2H2,1H3
InChIKeyLTKGCPUEHHRUNV-UHFFFAOYSA-N
XLogP1.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl formate;piperidine-4-carbaldehyde
CID 158189584
cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane
CID 174908022
bicyclo[2.2.2]octane;ethyl formate
CID 174816311
cyclodecanecarbaldehyde
CID 13240747
ethyl formate;(2-methylpropan-2-yl)oxycyclohexane
CID 143998668
cyclopropanol;ethyl formate
CID 157277391
cyclobutanamine;ethyl formate;hydrochloride
CID 174777526
cyclohexyloxy thiohypoiodite;ethyl formate
CID 167519720
cyclopropanamine;ethyl formate;hydrochloride
CID 172851986
cyclooctane-1,4-dicarbaldehyde
CID 19884381
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
lithium;ethyl formate;hydroxide
CID 174914217

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbaldehyde;ethyl formate?
The IUPAC name of cyclohexanecarbaldehyde;ethyl formate (CID 175526920) is cyclohexanecarbaldehyde;ethyl formate.
What is the SMILES notation for cyclohexanecarbaldehyde;ethyl formate?
The canonical SMILES for cyclohexanecarbaldehyde;ethyl formate is CCOC=O.O=CC1CCCCC1.
What is the InChIKey of cyclohexanecarbaldehyde;ethyl formate?
The InChIKey is LTKGCPUEHHRUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C3H6O2/c8-6-7-4-2-1-3-5-7;1-2-5-3-4/h6-7H,1-5H2;3H,2H2,1H3.
What are the key properties of cyclohexanecarbaldehyde;ethyl formate?
cyclohexanecarbaldehyde;ethyl formate has a molecular weight of 186.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbaldehyde;ethyl formate is sourced from PubChem (CID 175526920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).