tert-butyl 2-(3-formyloxycyclobutyl)acetate

C11H18O4 — CID 174976723

IUPACtert-butyl 2-(3-formyloxycyclobutyl)acetate
SMILESCC(C)(C)OC(=O)CC1CC(OC=O)C1
InChIInChI=1S/C11H18O4/c1-11(2,3)15-10(13)6-8-4-9(5-8)14-7-12/h7-9H,4-6H2,1-3H3
InChIKeyMUBCDQSUEFWACW-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.67
Rot. Bonds4

About tert-butyl 2-(3-formyloxycyclobutyl)acetate

tert-butyl 2-(3-formyloxycyclobutyl)acetate (PubChem CID 174976723) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl 2-(3-formyloxycyclobutyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-formyloxycyclobutyl)acetate
PubChem CID174976723
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nametert-butyl 2-(3-formyloxycyclobutyl)acetate
SMILESCC(C)(C)OC(=O)CC1CC(OC=O)C1
InChIInChI=1S/C11H18O4/c1-11(2,3)15-10(13)6-8-4-9(5-8)14-7-12/h7-9H,4-6H2,1-3H3
InChIKeyMUBCDQSUEFWACW-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(4-formylcyclohexyl)acetate
CID 86602219
tert-butyl 2-(4-hydroxycyclohexyl)acetate
CID 18919465
tert-butyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate
CID 160524581
tert-butyl 2-[4-(3-formylazetidin-1-yl)cyclohexyl]acetate
CID 176906078
tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate
CID 175487566
1,3-bis(thietan-3-yl)propan-2-one;tert-butyl 2-(thietan-3-yl)acetate;methyl 2-(thietan-3-yl)acetate
CID 158219461
tert-butyl 2-[4-(1,2-dihydroxyethyl)cyclohexyl]acetate
CID 157377003
tert-butyl 2-[(1S)-3-oxocyclohexyl]acetate
CID 141145832
tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate
CID 176906333
2-(3-ethoxycarbonyl-4-ethylcyclopentyl)acetic acid;ethyl 2-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 161488616
1-O-tert-butyl 2-O-ethyl (2S,4S)-4-formyloxypyrrolidine-1,2-dicarboxylate
CID 56595392
tert-butyl 2-[4-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 58235996

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-formyloxycyclobutyl)acetate?
The IUPAC name of tert-butyl 2-(3-formyloxycyclobutyl)acetate (CID 174976723) is tert-butyl 2-(3-formyloxycyclobutyl)acetate.
What is the SMILES notation for tert-butyl 2-(3-formyloxycyclobutyl)acetate?
The canonical SMILES for tert-butyl 2-(3-formyloxycyclobutyl)acetate is CC(C)(C)OC(=O)CC1CC(OC=O)C1.
What is the InChIKey of tert-butyl 2-(3-formyloxycyclobutyl)acetate?
The InChIKey is MUBCDQSUEFWACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-11(2,3)15-10(13)6-8-4-9(5-8)14-7-12/h7-9H,4-6H2,1-3H3.
What are the key properties of tert-butyl 2-(3-formyloxycyclobutyl)acetate?
tert-butyl 2-(3-formyloxycyclobutyl)acetate has a molecular weight of 214.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-formyloxycyclobutyl)acetate is sourced from PubChem (CID 174976723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).