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

C14H26O5 — CID 13312378

IUPACmethyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate
SMILESC=C(C(=O)OC)C(O)C(CCCCCC)OCOC
InChIInChI=1S/C14H26O5/c1-5-6-7-8-9-12(19-10-17-3)13(15)11(2)14(16)18-4/h12-13,15H,2,5-10H2,1,3-4H3
InChIKeyBMGODKWSOZWWGY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.04
Rot. Bonds11

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

methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate (PubChem CID 13312378) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate
PubChem CID13312378
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Namemethyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate
SMILESC=C(C(=O)OC)C(O)C(CCCCCC)OCOC
InChIInChI=1S/C14H26O5/c1-5-6-7-8-9-12(19-10-17-3)13(15)11(2)14(16)18-4/h12-13,15H,2,5-10H2,1,3-4H3
InChIKeyBMGODKWSOZWWGY-UHFFFAOYSA-N
XLogP2.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate?
The IUPAC name of methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate (CID 13312378) is methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate.
What is the SMILES notation for methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate?
The canonical SMILES for methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate is C=C(C(=O)OC)C(O)C(CCCCCC)OCOC.
What is the InChIKey of methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate?
The InChIKey is BMGODKWSOZWWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-5-6-7-8-9-12(19-10-17-3)13(15)11(2)14(16)18-4/h12-13,15H,2,5-10H2,1,3-4H3.
What are the key properties of methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate?
methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate has a molecular weight of 274.36 g/mol, XLogP of 2.04, 11 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-methylidenedecanoate is sourced from PubChem (CID 13312378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).