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

C9H16O5 — CID 13312366

IUPACmethyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate
SMILESC=C(C(=O)OC)C(O)C(C)OCOC
InChIInChI=1S/C9H16O5/c1-6(9(11)13-4)8(10)7(2)14-5-12-3/h7-8,10H,1,5H2,2-4H3
InChIKeyPXVMFUIMDOJSQF-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.09
Rot. Bonds6

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

methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate (PubChem CID 13312366) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate
PubChem CID13312366
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Namemethyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate
SMILESC=C(C(=O)OC)C(O)C(C)OCOC
InChIInChI=1S/C9H16O5/c1-6(9(11)13-4)8(10)7(2)14-5-12-3/h7-8,10H,1,5H2,2-4H3
InChIKeyPXVMFUIMDOJSQF-UHFFFAOYSA-N
XLogP0.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate?
The IUPAC name of methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate (CID 13312366) is methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate.
What is the SMILES notation for methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate?
The canonical SMILES for methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate is C=C(C(=O)OC)C(O)C(C)OCOC.
What is the InChIKey of methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate?
The InChIKey is PXVMFUIMDOJSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-6(9(11)13-4)8(10)7(2)14-5-12-3/h7-8,10H,1,5H2,2-4H3.
What are the key properties of methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate?
methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate has a molecular weight of 204.22 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenepentanoate is sourced from PubChem (CID 13312366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).