methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate

C11H20O6 — CID 13312372

IUPACmethyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate
SMILESC=C(C(=O)OC)C(O)C(C)OCOCCOC
InChIInChI=1S/C11H20O6/c1-8(11(13)15-4)10(12)9(2)17-7-16-6-5-14-3/h9-10,12H,1,5-7H2,2-4H3
InChIKeyGJUMYQCIASFCLW-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.10
Rot. Bonds9

About methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate

methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate (PubChem CID 13312372) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate
PubChem CID13312372
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Namemethyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate
SMILESC=C(C(=O)OC)C(O)C(C)OCOCCOC
InChIInChI=1S/C11H20O6/c1-8(11(13)15-4)10(12)9(2)17-7-16-6-5-14-3/h9-10,12H,1,5-7H2,2-4H3
InChIKeyGJUMYQCIASFCLW-UHFFFAOYSA-N
XLogP0.10
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-acetyloxy-4,5-dihydroxy-2-methylidenepentanoate
CID 52945992
Methyl 3,4,5-trihydroxy-2-methylidenepentanoate
CID 52948236
Methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]prop-2-enoate
CID 13382482
tert-butyl 2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]prop-2-enoate
CID 13548524
2-Ethyl-2-(hydroxymethyl) propane-1,3-diol triacrylate
CID 129867177
methyl 2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]prop-2-enoate
CID 11195276
Methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate
CID 13312366
Methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate
CID 13312378
Tert-butyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate
CID 13312381
4,4-Dimethoxy-2-ethoxycarbonyl-3-hydroxy-1-butene
CID 14419664
2-Butoxycarbonyl-4,4-dibutoxy-3-hydroxy-1-butene
CID 14419665
4,4-Dibutoxy-2-ethoxycarbonyl-3-hydroxy-1-butene
CID 14419668

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate?
The IUPAC name of methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate (CID 13312372) is methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate.
What is the SMILES notation for methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate?
The canonical SMILES for methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate is C=C(C(=O)OC)C(O)C(C)OCOCCOC.
What is the InChIKey of methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate?
The InChIKey is GJUMYQCIASFCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-8(11(13)15-4)10(12)9(2)17-7-16-6-5-14-3/h9-10,12H,1,5-7H2,2-4H3.
What are the key properties of methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate?
methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate has a molecular weight of 248.27 g/mol, XLogP of 0.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-(2-methoxyethoxymethoxy)-2-methylidenepentanoate is sourced from PubChem (CID 13312372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).