2-cyclohexylpropanal;1,1-diethoxyethane;ethene

C17H34O3 — CID 88595952

IUPAC2-cyclohexylpropanal;1,1-diethoxyethane;ethene
SMILESC=C.CC(C=O)C1CCCCC1.CCOC(C)OCC
InChIInChI=1S/C9H16O.C6H14O2.C2H4/c1-8(7-10)9-5-3-2-4-6-9;1-4-7-6(3)8-5-2;1-2/h7-9H,2-6H2,1H3;6H,4-5H2,1-3H3;1-2H2
InChIKeyOTGQNSBDELAZTI-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.61
Rot. Bonds6

About 2-cyclohexylpropanal;1,1-diethoxyethane;ethene

2-cyclohexylpropanal;1,1-diethoxyethane;ethene (PubChem CID 88595952) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-cyclohexylpropanal;1,1-diethoxyethane;ethene.

Molecular Properties

Compound Name2-cyclohexylpropanal;1,1-diethoxyethane;ethene
PubChem CID88595952
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name2-cyclohexylpropanal;1,1-diethoxyethane;ethene
SMILESC=C.CC(C=O)C1CCCCC1.CCOC(C)OCC
InChIInChI=1S/C9H16O.C6H14O2.C2H4/c1-8(7-10)9-5-3-2-4-6-9;1-4-7-6(3)8-5-2;1-2/h7-9H,2-6H2,1H3;6H,4-5H2,1-3H3;1-2H2
InChIKeyOTGQNSBDELAZTI-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-cyclopentylpropanal;butane;1,1-diethoxyethane
CID 87889060
2-bromopropanal;cyclopropane;1,1-diethoxyethane
CID 87882353
cyclopropane;1,1-diethoxyethane
CID 67020569
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
2-ethoxypropylcyclohexane
CID 57126788
(2S)-2-cyclopropylpropanal
CID 59475987
1,1-diethoxyethane;2-methylpropanedial
CID 88830026
1,1-diethoxypropan-2-ylcyclohexane
CID 14745336
2-bromoacetaldehyde;1,1-diethoxyethane;ethene
CID 87787901
2-(4-methoxycyclohexyl)propanal
CID 173023643
cyclopropane;2-cyclopropylpropanal;2-methyloxirane
CID 174820303
(2S)-2-cyclohexylbutanal
CID 88959248

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropanal;1,1-diethoxyethane;ethene?
The IUPAC name of 2-cyclohexylpropanal;1,1-diethoxyethane;ethene (CID 88595952) is 2-cyclohexylpropanal;1,1-diethoxyethane;ethene.
What is the SMILES notation for 2-cyclohexylpropanal;1,1-diethoxyethane;ethene?
The canonical SMILES for 2-cyclohexylpropanal;1,1-diethoxyethane;ethene is C=C.CC(C=O)C1CCCCC1.CCOC(C)OCC.
What is the InChIKey of 2-cyclohexylpropanal;1,1-diethoxyethane;ethene?
The InChIKey is OTGQNSBDELAZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C6H14O2.C2H4/c1-8(7-10)9-5-3-2-4-6-9;1-4-7-6(3)8-5-2;1-2/h7-9H,2-6H2,1H3;6H,4-5H2,1-3H3;1-2H2.
What are the key properties of 2-cyclohexylpropanal;1,1-diethoxyethane;ethene?
2-cyclohexylpropanal;1,1-diethoxyethane;ethene has a molecular weight of 286.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropanal;1,1-diethoxyethane;ethene is sourced from PubChem (CID 88595952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).