methoxymethyl 2-ethyloxane-2-carboxylate

C10H18O4 — CID 122528556

IUPACmethoxymethyl 2-ethyloxane-2-carboxylate
SMILESCCC1(C(=O)OCOC)CCCCO1
InChIInChI=1S/C10H18O4/c1-3-10(6-4-5-7-14-10)9(11)13-8-12-2/h3-8H2,1-2H3
InChIKeyBJESPCHPDKPRPE-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds4

About methoxymethyl 2-ethyloxane-2-carboxylate

methoxymethyl 2-ethyloxane-2-carboxylate (PubChem CID 122528556) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methoxymethyl 2-ethyloxane-2-carboxylate.

Molecular Properties

Compound Namemethoxymethyl 2-ethyloxane-2-carboxylate
PubChem CID122528556
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethoxymethyl 2-ethyloxane-2-carboxylate
SMILESCCC1(C(=O)OCOC)CCCCO1
InChIInChI=1S/C10H18O4/c1-3-10(6-4-5-7-14-10)9(11)13-8-12-2/h3-8H2,1-2H3
InChIKeyBJESPCHPDKPRPE-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxymethyl 2-ethyloxane-2-carboxylate?
The IUPAC name of methoxymethyl 2-ethyloxane-2-carboxylate (CID 122528556) is methoxymethyl 2-ethyloxane-2-carboxylate.
What is the SMILES notation for methoxymethyl 2-ethyloxane-2-carboxylate?
The canonical SMILES for methoxymethyl 2-ethyloxane-2-carboxylate is CCC1(C(=O)OCOC)CCCCO1.
What is the InChIKey of methoxymethyl 2-ethyloxane-2-carboxylate?
The InChIKey is BJESPCHPDKPRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-10(6-4-5-7-14-10)9(11)13-8-12-2/h3-8H2,1-2H3.
What are the key properties of methoxymethyl 2-ethyloxane-2-carboxylate?
methoxymethyl 2-ethyloxane-2-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 2-ethyloxane-2-carboxylate is sourced from PubChem (CID 122528556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).