methyl 2-(1-pentoxycyclobutyl)acetate

C12H22O3 — CID 103272639

IUPACmethyl 2-(1-pentoxycyclobutyl)acetate
SMILESCCCCCOC1(CC(=O)OC)CCC1
InChIInChI=1S/C12H22O3/c1-3-4-5-9-15-12(7-6-8-12)10-11(13)14-2/h3-10H2,1-2H3
InChIKeyTVMDLSKPFDXDEG-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.68
Rot. Bonds7

About methyl 2-(1-pentoxycyclobutyl)acetate

methyl 2-(1-pentoxycyclobutyl)acetate (PubChem CID 103272639) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is methyl 2-(1-pentoxycyclobutyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-pentoxycyclobutyl)acetate
PubChem CID103272639
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namemethyl 2-(1-pentoxycyclobutyl)acetate
SMILESCCCCCOC1(CC(=O)OC)CCC1
InChIInChI=1S/C12H22O3/c1-3-4-5-9-15-12(7-6-8-12)10-11(13)14-2/h3-10H2,1-2H3
InChIKeyTVMDLSKPFDXDEG-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(1-hydroxycyclobutyl)acetate
CID 58134840
1,3-Diethyl 2-cyclobutylpropanedioate
CID 21639668
2-(1-Ethoxycyclobutyl)acetic acid
CID 23564095
methyl 2-[(2S,3R)-2,3-dimethyloxolan-2-yl]acetate
CID 134900002
Methyl 3-acetyloxy-2-cyclobutylpropanoate
CID 176430894
Ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate
CID 79366198
Methyl 2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetate
CID 103272469
Methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate
CID 103272552
Methyl 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]acetate
CID 103272789
Methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate
CID 103272829
Methyl 2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]acetate
CID 103272833
Methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate
CID 103272840

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-pentoxycyclobutyl)acetate?
The IUPAC name of methyl 2-(1-pentoxycyclobutyl)acetate (CID 103272639) is methyl 2-(1-pentoxycyclobutyl)acetate.
What is the SMILES notation for methyl 2-(1-pentoxycyclobutyl)acetate?
The canonical SMILES for methyl 2-(1-pentoxycyclobutyl)acetate is CCCCCOC1(CC(=O)OC)CCC1.
What is the InChIKey of methyl 2-(1-pentoxycyclobutyl)acetate?
The InChIKey is TVMDLSKPFDXDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-4-5-9-15-12(7-6-8-12)10-11(13)14-2/h3-10H2,1-2H3.
What are the key properties of methyl 2-(1-pentoxycyclobutyl)acetate?
methyl 2-(1-pentoxycyclobutyl)acetate has a molecular weight of 214.30 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-pentoxycyclobutyl)acetate is sourced from PubChem (CID 103272639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).