oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate

C10H16O3 — CID 166173884

IUPACoxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate
SMILESC/C(=C\C(C)C)C(=O)OCC1CO1
InChIInChI=1S/C10H16O3/c1-7(2)4-8(3)10(11)13-6-9-5-12-9/h4,7,9H,5-6H2,1-3H3/b8-4+
InChIKeyOXPOHICPDKSLME-XBXARRHUSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds4

About oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate

oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate (PubChem CID 166173884) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate
PubChem CID166173884
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameoxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate
SMILESC/C(=C\C(C)C)C(=O)OCC1CO1
InChIInChI=1S/C10H16O3/c1-7(2)4-8(3)10(11)13-6-9-5-12-9/h4,7,9H,5-6H2,1-3H3/b8-4+
InChIKeyOXPOHICPDKSLME-XBXARRHUSA-N
XLogP1.53
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Pentenoic acid, 2,4-dimethyl-, ethyl ester, (2E)-
CID 12550535
Isopropyl 2-methyl-2E-pentenoate
CID 15071057
Isopropyl 2,4-dimethyl-2E,4E-heptadienoate
CID 20056444
Dominicalure I
CID 11830104
Dominicalure II
CID 14214177
2-Propyl 2,4-dimethyl-2-pentenoate
CID 13859533
2-Pentyl 2-methyl-2-pentenoate
CID 9855670
2-Pentyl 2,4-dimethyl-2-pentenoate
CID 14214178
ethyl (E)-2-methyl-3-(oxiran-2-yl)prop-2-enoate
CID 15207208
Ethyl 2,4-dimethyl-2-pentenoate
CID 53633305
Glycidyl methyl-methacrylate
CID 54168955
Oxiran-2-ylmethyl 2-methyl-4-(oxiran-2-yl)but-2-enoate
CID 56978875

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate?
The IUPAC name of oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate (CID 166173884) is oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate.
What is the SMILES notation for oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate?
The canonical SMILES for oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate is C/C(=C\C(C)C)C(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate?
The InChIKey is OXPOHICPDKSLME-XBXARRHUSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(2)4-8(3)10(11)13-6-9-5-12-9/h4,7,9H,5-6H2,1-3H3/b8-4+.
What are the key properties of oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate?
oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate is sourced from PubChem (CID 166173884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).