ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate

C14H26O5 — CID 87226077

IUPACethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate
SMILESC=C(CCCCO)C(=O)OCC1CO1.CCOCC
InChIInChI=1S/C10H16O4.C4H10O/c1-8(4-2-3-5-11)10(12)14-7-9-6-13-9;1-3-5-4-2/h9,11H,1-7H2;3-4H2,1-2H3
InChIKeyUODHRKYBXTXECV-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.69
Rot. Bonds9

About ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate

ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate (PubChem CID 87226077) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate.

Molecular Properties

Compound Nameethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate
PubChem CID87226077
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Nameethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate
SMILESC=C(CCCCO)C(=O)OCC1CO1.CCOCC
InChIInChI=1S/C10H16O4.C4H10O/c1-8(4-2-3-5-11)10(12)14-7-9-6-13-9;1-3-5-4-2/h9,11H,1-7H2;3-4H2,1-2H3
InChIKeyUODHRKYBXTXECV-UHFFFAOYSA-N
XLogP1.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxiran-2-ylmethyl 2-methylidenetetradecanoate
CID 22459422
ethoxyethane;oxiran-2-ylmethyl (E)-9-hydroxy-2-methylnon-2-enoate
CID 87621476
6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 162207786
2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87254151
oxiran-2-ylmethyl 2-methylidene-4-oxopentanoate
CID 135332305
1-O-(3-hydroxypropyl) 2-O-(oxiran-2-ylmethyl) oxalate
CID 129215406
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate
CID 141256557
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174621798
ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate
CID 87577916

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate?
The IUPAC name of ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate (CID 87226077) is ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate.
What is the SMILES notation for ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate?
The canonical SMILES for ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate is C=C(CCCCO)C(=O)OCC1CO1.CCOCC.
What is the InChIKey of ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate?
The InChIKey is UODHRKYBXTXECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4.C4H10O/c1-8(4-2-3-5-11)10(12)14-7-9-6-13-9;1-3-5-4-2/h9,11H,1-7H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate?
ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate has a molecular weight of 274.36 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate is sourced from PubChem (CID 87226077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).