methyl 2-(1-ethoxycyclobutyl)acetate

C9H16O3 — CID 103272473

IUPACmethyl 2-(1-ethoxycyclobutyl)acetate
SMILESCCOC1(CC(=O)OC)CCC1
InChIInChI=1S/C9H16O3/c1-3-12-9(5-4-6-9)7-8(10)11-2/h3-7H2,1-2H3
InChIKeyAVDCQDNFPOJHFL-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.51
Rot. Bonds4

About methyl 2-(1-ethoxycyclobutyl)acetate

methyl 2-(1-ethoxycyclobutyl)acetate (PubChem CID 103272473) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 2-(1-ethoxycyclobutyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-ethoxycyclobutyl)acetate
PubChem CID103272473
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 2-(1-ethoxycyclobutyl)acetate
SMILESCCOC1(CC(=O)OC)CCC1
InChIInChI=1S/C9H16O3/c1-3-12-9(5-4-6-9)7-8(10)11-2/h3-7H2,1-2H3
InChIKeyAVDCQDNFPOJHFL-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-pentoxycyclobutyl)acetate
CID 103272639
methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate
CID 103272535
methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate
CID 103272861
methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate
CID 103272552
methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
methyl 2-[1-(oxetan-3-yloxy)cyclobutyl]acetate
CID 103272901
methyl 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272838
methyl 2-(1-tert-butylperoxycyclohexyl)acetate
CID 101349207
methyl 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetate
CID 103520057
methyl 2-[1-[(2-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272835
methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate
CID 103272848
ethyl 1-[2-(1-ethoxycyclohexyl)acetyl]cyclohexane-1-carboxylate
CID 130238313

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethoxycyclobutyl)acetate?
The IUPAC name of methyl 2-(1-ethoxycyclobutyl)acetate (CID 103272473) is methyl 2-(1-ethoxycyclobutyl)acetate.
What is the SMILES notation for methyl 2-(1-ethoxycyclobutyl)acetate?
The canonical SMILES for methyl 2-(1-ethoxycyclobutyl)acetate is CCOC1(CC(=O)OC)CCC1.
What is the InChIKey of methyl 2-(1-ethoxycyclobutyl)acetate?
The InChIKey is AVDCQDNFPOJHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-12-9(5-4-6-9)7-8(10)11-2/h3-7H2,1-2H3.
What are the key properties of methyl 2-(1-ethoxycyclobutyl)acetate?
methyl 2-(1-ethoxycyclobutyl)acetate has a molecular weight of 172.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethoxycyclobutyl)acetate is sourced from PubChem (CID 103272473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).