ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate

C11H18O4 — CID 131851758

IUPACethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(OCOC)CCCC1
InChIInChI=1S/C11H18O4/c1-3-14-11(12)9-6-4-5-7-10(9)15-8-13-2/h3-8H2,1-2H3
InChIKeyOXGRLVRESILWBP-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.00
Rot. Bonds5

About ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate

ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate (PubChem CID 131851758) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate
PubChem CID131851758
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(OCOC)CCCC1
InChIInChI=1S/C11H18O4/c1-3-14-11(12)9-6-4-5-7-10(9)15-8-13-2/h3-8H2,1-2H3
InChIKeyOXGRLVRESILWBP-UHFFFAOYSA-N
XLogP2.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.00
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 ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate?
The IUPAC name of ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate (CID 131851758) is ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate?
The canonical SMILES for ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate is CCOC(=O)C1=C(OCOC)CCCC1.
What is the InChIKey of ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate?
The InChIKey is OXGRLVRESILWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-14-11(12)9-6-4-5-7-10(9)15-8-13-2/h3-8H2,1-2H3.
What are the key properties of ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate?
ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate is sourced from PubChem (CID 131851758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).