methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde

C12H22O3 — CID 153333487

IUPACmethoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde
SMILESCCOC.O=CCC1(C=O)CCCCC1
InChIInChI=1S/C9H14O2.C3H8O/c10-7-6-9(8-11)4-2-1-3-5-9;1-3-4-2/h7-8H,1-6H2;3H2,1-2H3
InChIKeyFAMGHJAMUZHQCF-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.38
Rot. Bonds4

About methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde

methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde (PubChem CID 153333487) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namemethoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde
PubChem CID153333487
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namemethoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde
SMILESCCOC.O=CCC1(C=O)CCCCC1
InChIInChI=1S/C9H14O2.C3H8O/c10-7-6-9(8-11)4-2-1-3-5-9;1-3-4-2/h7-8H,1-6H2;3H2,1-2H3
InChIKeyFAMGHJAMUZHQCF-UHFFFAOYSA-N
XLogP2.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.38
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

1-(2-oxoethyl)cyclohexane-1-carbaldehyde
CID 89249551
methyl (E)-4-(1-formylcyclohexyl)but-2-enoate
CID 11241269
1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde
CID 131232284
1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62275891
2-(1-ethylcyclobutyl)acetaldehyde
CID 130601222
4-(1-formylcyclohexyl)but-2-enoic acid
CID 123160535
(Z)-3-[1-(2-oxoethyl)cyclohexyl]prop-2-enoic acid
CID 10442666
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
4-ethoxyspiro[4.5]decane-4-carbaldehyde
CID 130679876
1-(4-oxobutyl)cyclopentane-1-carbaldehyde
CID 87203015
1-(methylaminomethyl)cyclopentane-1-carbaldehyde
CID 123732228
1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 55051071

Frequently Asked Questions

What is the IUPAC name of methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde?
The IUPAC name of methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde (CID 153333487) is methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde is CCOC.O=CCC1(C=O)CCCCC1.
What is the InChIKey of methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde?
The InChIKey is FAMGHJAMUZHQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2.C3H8O/c10-7-6-9(8-11)4-2-1-3-5-9;1-3-4-2/h7-8H,1-6H2;3H2,1-2H3.
What are the key properties of methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde?
methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde has a molecular weight of 214.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;1-(2-oxoethyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 153333487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).