oxolane;propyl 2-methylprop-2-enoate

C11H20O3 — CID 175153553

IUPACoxolane;propyl 2-methylprop-2-enoate
SMILESC1CCOC1.C=C(C)C(=O)OCCC
InChIInChI=1S/C7H12O2.C4H8O/c1-4-5-9-7(8)6(2)3;1-2-4-5-3-1/h2,4-5H2,1,3H3;1-4H2
InChIKeyZRBGCYJOFGPKFC-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.31
Rot. Bonds3

About oxolane;propyl 2-methylprop-2-enoate

oxolane;propyl 2-methylprop-2-enoate (PubChem CID 175153553) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is oxolane;propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameoxolane;propyl 2-methylprop-2-enoate
PubChem CID175153553
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameoxolane;propyl 2-methylprop-2-enoate
SMILESC1CCOC1.C=C(C)C(=O)OCCC
InChIInChI=1S/C7H12O2.C4H8O/c1-4-5-9-7(8)6(2)3;1-2-4-5-3-1/h2,4-5H2,1,3H3;1-4H2
InChIKeyZRBGCYJOFGPKFC-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azane;propyl 2-methylprop-2-enoate
CID 172812841
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
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propane;propyl 2-methylprop-2-enoate;yttrium
CID 158346337
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
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propyl 4-(2-methylprop-2-enoyloxy)butanoate
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[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate;oxolane
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N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate
CID 172705109
butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane
CID 23091826
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547

Frequently Asked Questions

What is the IUPAC name of oxolane;propyl 2-methylprop-2-enoate?
The IUPAC name of oxolane;propyl 2-methylprop-2-enoate (CID 175153553) is oxolane;propyl 2-methylprop-2-enoate.
What is the SMILES notation for oxolane;propyl 2-methylprop-2-enoate?
The canonical SMILES for oxolane;propyl 2-methylprop-2-enoate is C1CCOC1.C=C(C)C(=O)OCCC.
What is the InChIKey of oxolane;propyl 2-methylprop-2-enoate?
The InChIKey is ZRBGCYJOFGPKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C4H8O/c1-4-5-9-7(8)6(2)3;1-2-4-5-3-1/h2,4-5H2,1,3H3;1-4H2.
What are the key properties of oxolane;propyl 2-methylprop-2-enoate?
oxolane;propyl 2-methylprop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;propyl 2-methylprop-2-enoate is sourced from PubChem (CID 175153553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).