methyl 2-(1-hydroxycyclobutyl)acetate

C7H12O3 — CID 59069629

IUPACmethyl 2-(1-hydroxycyclobutyl)acetate
SMILESCOC(=O)CC1(O)CCC1
InChIInChI=1S/C7H12O3/c1-10-6(8)5-7(9)3-2-4-7/h9H,2-5H2,1H3
InChIKeyXRVRNWKSIPHHRC-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.46
Rot. Bonds2

About methyl 2-(1-hydroxycyclobutyl)acetate

methyl 2-(1-hydroxycyclobutyl)acetate (PubChem CID 59069629) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 2-(1-hydroxycyclobutyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxycyclobutyl)acetate
PubChem CID59069629
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl 2-(1-hydroxycyclobutyl)acetate
SMILESCOC(=O)CC1(O)CCC1
InChIInChI=1S/C7H12O3/c1-10-6(8)5-7(9)3-2-4-7/h9H,2-5H2,1H3
InChIKeyXRVRNWKSIPHHRC-UHFFFAOYSA-N
XLogP0.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-hydroxy-1,1-dioxothiepan-4-yl)acetate
CID 115041474
methyl 2-(3-hydroxyoxolan-3-yl)acetate
CID 115012540
methyl 2-(1-ethoxycyclobutyl)acetate
CID 103272473
methyl 2-[(1R,2R)-1,2-dihydroxycyclohexyl]acetate
CID 11600811
1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid
CID 59620516
methyl 2-[1-(propan-2-ylideneamino)oxycyclobutyl]acetate
CID 103272861
methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate
CID 65213036
methyl 3-[1-(2-methoxy-2-oxoethyl)cyclohexyl]-2-oxopropanoate
CID 10467590
methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
CID 142068659
methyl 3-(1-methylcyclobutyl)-3-oxopropanoate
CID 115013729
methyl 2-(1-pentoxycyclobutyl)acetate
CID 103272639
methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate
CID 79863323

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxycyclobutyl)acetate?
The IUPAC name of methyl 2-(1-hydroxycyclobutyl)acetate (CID 59069629) is methyl 2-(1-hydroxycyclobutyl)acetate.
What is the SMILES notation for methyl 2-(1-hydroxycyclobutyl)acetate?
The canonical SMILES for methyl 2-(1-hydroxycyclobutyl)acetate is COC(=O)CC1(O)CCC1.
What is the InChIKey of methyl 2-(1-hydroxycyclobutyl)acetate?
The InChIKey is XRVRNWKSIPHHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-10-6(8)5-7(9)3-2-4-7/h9H,2-5H2,1H3.
What are the key properties of methyl 2-(1-hydroxycyclobutyl)acetate?
methyl 2-(1-hydroxycyclobutyl)acetate has a molecular weight of 144.17 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxycyclobutyl)acetate is sourced from PubChem (CID 59069629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).