cyclopropane;2-cyclopropylpropanal;2-methyloxirane

C12H22O2 — CID 174820303

IUPACcyclopropane;2-cyclopropylpropanal;2-methyloxirane
SMILESC1CC1.CC(C=O)C1CC1.CC1CO1
InChIInChI=1S/C6H10O.C3H6O.C3H6/c1-5(4-7)6-2-3-6;1-3-2-4-3;1-2-3-1/h4-6H,2-3H2,1H3;3H,2H2,1H3;1-3H2
InChIKeySSAMTTAMZUUOEH-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.81
Rot. Bonds2

About cyclopropane;2-cyclopropylpropanal;2-methyloxirane

cyclopropane;2-cyclopropylpropanal;2-methyloxirane (PubChem CID 174820303) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is cyclopropane;2-cyclopropylpropanal;2-methyloxirane.

Molecular Properties

Compound Namecyclopropane;2-cyclopropylpropanal;2-methyloxirane
PubChem CID174820303
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namecyclopropane;2-cyclopropylpropanal;2-methyloxirane
SMILESC1CC1.CC(C=O)C1CC1.CC1CO1
InChIInChI=1S/C6H10O.C3H6O.C3H6/c1-5(4-7)6-2-3-6;1-3-2-4-3;1-2-3-1/h4-6H,2-3H2,1H3;3H,2H2,1H3;1-3H2
InChIKeySSAMTTAMZUUOEH-UHFFFAOYSA-N
XLogP2.81
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-cyclopropylpropanal
CID 59475987
2-(thian-4-yl)propanal
CID 83905312
2-(4-methoxycyclohexyl)propanal
CID 173023643
2-(4-methyl-3-oxocyclohexyl)propanal
CID 10964913
2-cyclooct-4-en-1-ylpropanal
CID 54287694
2-cyclohexylpropanal;1,1-diethoxyethane;ethene
CID 88595952
2-(3-hydroxy-4-methylcyclohexyl)propanal
CID 130035363
2-methyloxirane;2-propan-2-yloxypropane
CID 121301937
3-[(2S)-1-oxopropan-2-yl]cyclohexane-1-carbaldehyde
CID 88986054
2-(thietan-3-yl)propanal
CID 83904839
(2S)-2-[(3R,4R)-3-methyl-1-oxa-5-silaspiro[4.5]decan-4-yl]propanal
CID 11775890
2-methyloxirane;prop-2-enal
CID 159099687

Frequently Asked Questions

What is the IUPAC name of cyclopropane;2-cyclopropylpropanal;2-methyloxirane?
The IUPAC name of cyclopropane;2-cyclopropylpropanal;2-methyloxirane (CID 174820303) is cyclopropane;2-cyclopropylpropanal;2-methyloxirane.
What is the SMILES notation for cyclopropane;2-cyclopropylpropanal;2-methyloxirane?
The canonical SMILES for cyclopropane;2-cyclopropylpropanal;2-methyloxirane is C1CC1.CC(C=O)C1CC1.CC1CO1.
What is the InChIKey of cyclopropane;2-cyclopropylpropanal;2-methyloxirane?
The InChIKey is SSAMTTAMZUUOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C3H6O.C3H6/c1-5(4-7)6-2-3-6;1-3-2-4-3;1-2-3-1/h4-6H,2-3H2,1H3;3H,2H2,1H3;1-3H2.
What are the key properties of cyclopropane;2-cyclopropylpropanal;2-methyloxirane?
cyclopropane;2-cyclopropylpropanal;2-methyloxirane has a molecular weight of 198.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;2-cyclopropylpropanal;2-methyloxirane is sourced from PubChem (CID 174820303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).