oxiran-2-ylmethyl 2-methylidenehexanoate

C10H16O3 — CID 22138139

IUPACoxiran-2-ylmethyl 2-methylidenehexanoate
SMILESC=C(CCCC)C(=O)OCC1CO1
InChIInChI=1S/C10H16O3/c1-3-4-5-8(2)10(11)13-7-9-6-12-9/h9H,2-7H2,1H3
InChIKeyJJOOCDGUAPREGI-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds6

About oxiran-2-ylmethyl 2-methylidenehexanoate

oxiran-2-ylmethyl 2-methylidenehexanoate (PubChem CID 22138139) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-methylidenehexanoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-methylidenehexanoate
PubChem CID22138139
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameoxiran-2-ylmethyl 2-methylidenehexanoate
SMILESC=C(CCCC)C(=O)OCC1CO1
InChIInChI=1S/C10H16O3/c1-3-4-5-8(2)10(11)13-7-9-6-12-9/h9H,2-7H2,1H3
InChIKeyJJOOCDGUAPREGI-UHFFFAOYSA-N
XLogP1.67
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
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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Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-methylidenehexanoate?
The IUPAC name of oxiran-2-ylmethyl 2-methylidenehexanoate (CID 22138139) is oxiran-2-ylmethyl 2-methylidenehexanoate.
What is the SMILES notation for oxiran-2-ylmethyl 2-methylidenehexanoate?
The canonical SMILES for oxiran-2-ylmethyl 2-methylidenehexanoate is C=C(CCCC)C(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-methylidenehexanoate?
The InChIKey is JJOOCDGUAPREGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-4-5-8(2)10(11)13-7-9-6-12-9/h9H,2-7H2,1H3.
What are the key properties of oxiran-2-ylmethyl 2-methylidenehexanoate?
oxiran-2-ylmethyl 2-methylidenehexanoate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-methylidenehexanoate is sourced from PubChem (CID 22138139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).