ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate

C11H20O5 — CID 118951743

IUPACethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate
SMILESCCOC(=O)COCC1CC(OC)(OC)C1
InChIInChI=1S/C11H20O5/c1-4-16-10(12)8-15-7-9-5-11(6-9,13-2)14-3/h9H,4-8H2,1-3H3
InChIKeyNJBRMVRXZRXQLZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.97
Rot. Bonds7

About ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate

ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate (PubChem CID 118951743) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate
PubChem CID118951743
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nameethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate
SMILESCCOC(=O)COCC1CC(OC)(OC)C1
InChIInChI=1S/C11H20O5/c1-4-16-10(12)8-15-7-9-5-11(6-9,13-2)14-3/h9H,4-8H2,1-3H3
InChIKeyNJBRMVRXZRXQLZ-UHFFFAOYSA-N
XLogP0.97
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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ethoxyethane;bis(ethyl 2-ethoxyacetate)
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ethyl 2-(pyrrolidin-2-ylmethoxy)acetate
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ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
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2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
benzene;ethyl 2-ethoxyacetate
CID 174867683
ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate
CID 10658175
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885
CID 172843337
CID 172843337
ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate
CID 138015528
ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate
CID 123166470
tert-butyl 2-[(2-ethoxy-2-oxoethoxy)methyl]-4,4-difluoropyrrolidine-1-carboxylate
CID 134533962

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate?
The IUPAC name of ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate (CID 118951743) is ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate.
What is the SMILES notation for ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate?
The canonical SMILES for ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate is CCOC(=O)COCC1CC(OC)(OC)C1.
What is the InChIKey of ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate?
The InChIKey is NJBRMVRXZRXQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-4-16-10(12)8-15-7-9-5-11(6-9,13-2)14-3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate?
ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate has a molecular weight of 232.28 g/mol, XLogP of 0.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,3-dimethoxycyclobutyl)methoxy]acetate is sourced from PubChem (CID 118951743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).