tert-butyl cyclopropanecarboxylate;oxane

C13H24O3 — CID 142447731

IUPACtert-butyl cyclopropanecarboxylate;oxane
SMILESC1CCOCC1.CC(C)(C)OC(=O)C1CC1
InChIInChI=1S/C8H14O2.C5H10O/c1-8(2,3)10-7(9)6-4-5-6;1-2-4-6-5-3-1/h6H,4-5H2,1-3H3;1-5H2
InChIKeyDKCHITLXJUJYBG-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.92
Rot. Bonds1

About tert-butyl cyclopropanecarboxylate;oxane

tert-butyl cyclopropanecarboxylate;oxane (PubChem CID 142447731) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is tert-butyl cyclopropanecarboxylate;oxane.

Molecular Properties

Compound Nametert-butyl cyclopropanecarboxylate;oxane
PubChem CID142447731
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nametert-butyl cyclopropanecarboxylate;oxane
SMILESC1CCOCC1.CC(C)(C)OC(=O)C1CC1
InChIInChI=1S/C8H14O2.C5H10O/c1-8(2,3)10-7(9)6-4-5-6;1-2-4-6-5-3-1/h6H,4-5H2,1-3H3;1-5H2
InChIKeyDKCHITLXJUJYBG-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl cyclododecanecarboxylate
CID 154013086
tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate
CID 139789040
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
tert-butyl 4-tert-butylsulfinylcyclohexane-1-carboxylate
CID 175169116
tert-butyl acetate;oxolane
CID 174954006
tert-butyl 4-methoxycyclohexane-1-carboxylate
CID 59780016
1-O-(aminomethyl) 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 57009798
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068
tert-butyl thiane-4-carboxylate
CID 118666343
tert-butyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 23444208
tert-butyl (1S)-3,4-dimethylcyclohexane-1-carboxylate
CID 118389091

Frequently Asked Questions

What is the IUPAC name of tert-butyl cyclopropanecarboxylate;oxane?
The IUPAC name of tert-butyl cyclopropanecarboxylate;oxane (CID 142447731) is tert-butyl cyclopropanecarboxylate;oxane.
What is the SMILES notation for tert-butyl cyclopropanecarboxylate;oxane?
The canonical SMILES for tert-butyl cyclopropanecarboxylate;oxane is C1CCOCC1.CC(C)(C)OC(=O)C1CC1.
What is the InChIKey of tert-butyl cyclopropanecarboxylate;oxane?
The InChIKey is DKCHITLXJUJYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C5H10O/c1-8(2,3)10-7(9)6-4-5-6;1-2-4-6-5-3-1/h6H,4-5H2,1-3H3;1-5H2.
What are the key properties of tert-butyl cyclopropanecarboxylate;oxane?
tert-butyl cyclopropanecarboxylate;oxane has a molecular weight of 228.33 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl cyclopropanecarboxylate;oxane is sourced from PubChem (CID 142447731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).