ethane;propane;prop-2-enyl 2-methylpropanoate

C14H32O2 — CID 158123161

IUPACethane;propane;prop-2-enyl 2-methylpropanoate
SMILESC=CCOC(=O)C(C)C.CC.CC.CCC
InChIInChI=1S/C7H12O2.C3H8.2C2H6/c1-4-5-9-7(8)6(2)3;1-3-2;2*1-2/h4,6H,1,5H2,2-3H3;3H2,1-2H3;2*1-2H3
InChIKeyFRVOBVVOSSIQFE-UHFFFAOYSA-N
MW232.41 g/mol
LogP4.84
Rot. Bonds3

About ethane;propane;prop-2-enyl 2-methylpropanoate

ethane;propane;prop-2-enyl 2-methylpropanoate (PubChem CID 158123161) has the molecular formula C14H32O2 and a molecular weight of 232.41 g/mol. Its IUPAC name is ethane;propane;prop-2-enyl 2-methylpropanoate.

Molecular Properties

Compound Nameethane;propane;prop-2-enyl 2-methylpropanoate
PubChem CID158123161
Molecular FormulaC14H32O2
Molecular Weight232.41 g/mol
Exact Mass232.24
IUPAC Nameethane;propane;prop-2-enyl 2-methylpropanoate
SMILESC=CCOC(=O)C(C)C.CC.CC.CCC
InChIInChI=1S/C7H12O2.C3H8.2C2H6/c1-4-5-9-7(8)6(2)3;1-3-2;2*1-2/h4,6H,1,5H2,2-3H3;3H2,1-2H3;2*1-2H3
InChIKeyFRVOBVVOSSIQFE-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
CID 153317793
prop-2-enyl 2-aminopropanoate
CID 91515395
prop-2-enyl 2-methyl-3-oxopentanoate
CID 11805176
prop-2-enyl (2S)-3-amino-2-methylpropanoate
CID 59815575
CID 58877383
CID 58877383
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium chloride
CID 10877479
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
prop-2-enyl 2-hydroxy-4-methylpentanoate
CID 18724155
1-O-ethyl 3-O-prop-2-enyl 2-ethylpropanedioate
CID 57172594
prop-2-enyl (2S)-3-methyl-2-nitrosobutanoate
CID 166857606
prop-2-enyl 3-hydroxybutanoate
CID 14360290

Frequently Asked Questions

What is the IUPAC name of ethane;propane;prop-2-enyl 2-methylpropanoate?
The IUPAC name of ethane;propane;prop-2-enyl 2-methylpropanoate (CID 158123161) is ethane;propane;prop-2-enyl 2-methylpropanoate.
What is the SMILES notation for ethane;propane;prop-2-enyl 2-methylpropanoate?
The canonical SMILES for ethane;propane;prop-2-enyl 2-methylpropanoate is C=CCOC(=O)C(C)C.CC.CC.CCC.
What is the InChIKey of ethane;propane;prop-2-enyl 2-methylpropanoate?
The InChIKey is FRVOBVVOSSIQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C3H8.2C2H6/c1-4-5-9-7(8)6(2)3;1-3-2;2*1-2/h4,6H,1,5H2,2-3H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;propane;prop-2-enyl 2-methylpropanoate?
ethane;propane;prop-2-enyl 2-methylpropanoate has a molecular weight of 232.41 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;prop-2-enyl 2-methylpropanoate is sourced from PubChem (CID 158123161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).