cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane

C17H32O3 — CID 174908022

IUPACcyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane
SMILESCC.O=CC1CCCCC1.O=COCC1CCCCC1
InChIInChI=1S/C8H14O2.C7H12O.C2H6/c9-7-10-6-8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7;1-2/h7-8H,1-6H2;6-7H,1-5H2;1-2H3
InChIKeyYYIZCZGXFYNONR-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.53
Rot. Bonds4

About cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane

cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane (PubChem CID 174908022) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane.

Molecular Properties

Compound Namecyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane
PubChem CID174908022
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Namecyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane
SMILESCC.O=CC1CCCCC1.O=COCC1CCCCC1
InChIInChI=1S/C8H14O2.C7H12O.C2H6/c9-7-10-6-8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7;1-2/h7-8H,1-6H2;6-7H,1-5H2;1-2H3
InChIKeyYYIZCZGXFYNONR-UHFFFAOYSA-N
XLogP4.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.53
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

cyclohexanecarbaldehyde;ethyl formate
CID 175526920
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
cyclodecanecarbaldehyde
CID 13240747
cyclopentanecarbaldehyde;cyclopentylmethanol
CID 161180132
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
cyclooctane-1,4-dicarbaldehyde
CID 19884381
[4-(ethenoxymethyl)cyclohexyl]methyl formate
CID 139924900
carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
CID 91654218
cyclohexanecarbaldehyde;cyclohexylmethylimino-dimethyl-oxo-λ6-sulfane;methane
CID 159193353
piperidin-4-ylmethyl formate;hydrochloride
CID 174937459
cyclooctane-1,5-dicarbaldehyde
CID 18542113
cyclobutanecarbaldehyde;ethane;N-methylmethanamine
CID 142148678

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane?
The IUPAC name of cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane (CID 174908022) is cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane.
What is the SMILES notation for cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane?
The canonical SMILES for cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane is CC.O=CC1CCCCC1.O=COCC1CCCCC1.
What is the InChIKey of cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane?
The InChIKey is YYIZCZGXFYNONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C7H12O.C2H6/c9-7-10-6-8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7;1-2/h7-8H,1-6H2;6-7H,1-5H2;1-2H3.
What are the key properties of cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane?
cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane has a molecular weight of 284.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbaldehyde;cyclohexylmethyl formate;ethane is sourced from PubChem (CID 174908022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).