tert-butyl acetate;oxolane

C10H20O3 — CID 174954006

IUPACtert-butyl acetate;oxolane
SMILESC1CCOC1.CC(=O)OC(C)(C)C
InChIInChI=1S/C6H12O2.C4H8O/c1-5(7)8-6(2,3)4;1-2-4-5-3-1/h1-4H3;1-4H2
InChIKeyMNWLTMCRXZTMDT-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.14
Rot. Bonds

About tert-butyl acetate;oxolane

tert-butyl acetate;oxolane (PubChem CID 174954006) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is tert-butyl acetate;oxolane.

Molecular Properties

Compound Nametert-butyl acetate;oxolane
PubChem CID174954006
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nametert-butyl acetate;oxolane
SMILESC1CCOC1.CC(=O)OC(C)(C)C
InChIInChI=1S/C6H12O2.C4H8O/c1-5(7)8-6(2,3)4;1-2-4-5-3-1/h1-4H3;1-4H2
InChIKeyMNWLTMCRXZTMDT-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl acetate
CID 159704758
sodium tert-butyl acetate
CID 22391906
tert-butyl acetate;iron
CID 174907269
oxolane;propan-2-one
CID 22559816
tert-butyl cyclopropanecarboxylate;oxane
CID 142447731
tert-butyl acetate;tert-butyl 2-(1-hydroxycyclopentyl)acetate;cyclopentanone;oxolane
CID 159835510
tert-butyl 2-amino-3-methylbutanoate;oxolane
CID 174650975
tert-butyl acetate;cyclopropanamine
CID 174763638
tert-butyl piperazine-1-carboxylate;oxolane
CID 162748151
tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;oxolane
CID 167602576
oxolane;palladium(2+);diacetate
CID 173243487
azane;tert-butyl acetate;guanidine
CID 174950483

Frequently Asked Questions

What is the IUPAC name of tert-butyl acetate;oxolane?
The IUPAC name of tert-butyl acetate;oxolane (CID 174954006) is tert-butyl acetate;oxolane.
What is the SMILES notation for tert-butyl acetate;oxolane?
The canonical SMILES for tert-butyl acetate;oxolane is C1CCOC1.CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl acetate;oxolane?
The InChIKey is MNWLTMCRXZTMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H8O/c1-5(7)8-6(2,3)4;1-2-4-5-3-1/h1-4H3;1-4H2.
What are the key properties of tert-butyl acetate;oxolane?
tert-butyl acetate;oxolane has a molecular weight of 188.27 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl acetate;oxolane is sourced from PubChem (CID 174954006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).