tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate

C10H18O4 — CID 137480139

IUPACtert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
SMILESCC(C)(C)OC(=O)COC1(O)CCC1
InChIInChI=1S/C10H18O4/c1-9(2,3)14-8(11)7-13-10(12)5-4-6-10/h12H,4-7H2,1-3H3
InChIKeyWSJALFHXEBEMEE-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.22
Rot. Bonds3

About tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate

tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate (PubChem CID 137480139) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
PubChem CID137480139
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nametert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
SMILESCC(C)(C)OC(=O)COC1(O)CCC1
InChIInChI=1S/C10H18O4/c1-9(2,3)14-8(11)7-13-10(12)5-4-6-10/h12H,4-7H2,1-3H3
InChIKeyWSJALFHXEBEMEE-UHFFFAOYSA-N
XLogP1.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(1-hydroxycyclobutyl)propanoate
CID 10910542
tert-butyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]acetate
CID 105416864
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate
CID 59833239
tert-butyl 2-[1-[cyano(hydroxy)methyl]cyclopentyl]acetate
CID 167708398
tert-butyl 4-(1-hydroxycyclopentyl)but-3-ynoate
CID 102086964
tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate
CID 11298617
tert-butyl 2-[1-(dibenzylamino)cyclohexyl]oxyacetate
CID 174765058
tert-butyl 2-(2-oxoethoxy)acetate
CID 170899308
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[1-[1-(hydroxymethyl)cyclobutyl]ethyl]carbamate
CID 155893880
tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate
CID 163325198

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate?
The IUPAC name of tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate (CID 137480139) is tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate.
What is the SMILES notation for tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate?
The canonical SMILES for tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate is CC(C)(C)OC(=O)COC1(O)CCC1.
What is the InChIKey of tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate?
The InChIKey is WSJALFHXEBEMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(2,3)14-8(11)7-13-10(12)5-4-6-10/h12H,4-7H2,1-3H3.
What are the key properties of tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate?
tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate has a molecular weight of 202.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate is sourced from PubChem (CID 137480139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).