methyl 2-(methoxymethoxy)heptanoate

C10H20O4 — CID 14639861

IUPACmethyl 2-(methoxymethoxy)heptanoate
SMILESCCCCCC(OCOC)C(=O)OC
InChIInChI=1S/C10H20O4/c1-4-5-6-7-9(10(11)13-3)14-8-12-2/h9H,4-8H2,1-3H3
InChIKeyNCOFPSJLLRMDFN-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.73
Rot. Bonds8

About methyl 2-(methoxymethoxy)heptanoate

methyl 2-(methoxymethoxy)heptanoate (PubChem CID 14639861) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 2-(methoxymethoxy)heptanoate.

Molecular Properties

Compound Namemethyl 2-(methoxymethoxy)heptanoate
PubChem CID14639861
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namemethyl 2-(methoxymethoxy)heptanoate
SMILESCCCCCC(OCOC)C(=O)OC
InChIInChI=1S/C10H20O4/c1-4-5-6-7-9(10(11)13-3)14-8-12-2/h9H,4-8H2,1-3H3
InChIKeyNCOFPSJLLRMDFN-UHFFFAOYSA-N
XLogP1.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sodium 2-decanoyloxypropanoate
CID 71466453
Methyl 2-methoxyoctanoate
CID 14952079
Heptanoic acid, 2-(acetyloxy)-, methyl ester
CID 536083
2-(Methoxy-carbonyloxy)-propionic acid decyl ester
CID 254387
2-Ethoxycarbonyloxy-propionic acid octyl ester
CID 129658208
Methyl formyloxystearate
CID 21961090
Methyl bis(formyloxy)stearate
CID 53849190
Methyl dimethoxyhexanoate
CID 88066037
Methyl diacetoxystearate
CID 88100800
Methyl 2-methoxydecanoate
CID 129725257
Sodium lauroyl lactate
CID 23664991
2-Octyloxycarbonyloxy-propionic acid methyl ester
CID 222213

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethoxy)heptanoate?
The IUPAC name of methyl 2-(methoxymethoxy)heptanoate (CID 14639861) is methyl 2-(methoxymethoxy)heptanoate.
What is the SMILES notation for methyl 2-(methoxymethoxy)heptanoate?
The canonical SMILES for methyl 2-(methoxymethoxy)heptanoate is CCCCCC(OCOC)C(=O)OC.
What is the InChIKey of methyl 2-(methoxymethoxy)heptanoate?
The InChIKey is NCOFPSJLLRMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-5-6-7-9(10(11)13-3)14-8-12-2/h9H,4-8H2,1-3H3.
What are the key properties of methyl 2-(methoxymethoxy)heptanoate?
methyl 2-(methoxymethoxy)heptanoate has a molecular weight of 204.27 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethoxy)heptanoate is sourced from PubChem (CID 14639861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).