tert-butyl 5-oxooxane-2-carboxylate;ethane

C12H22O4 — CID 144712908

IUPACtert-butyl 5-oxooxane-2-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)C1CCC(=O)CO1
InChIInChI=1S/C10H16O4.C2H6/c1-10(2,3)14-9(12)8-5-4-7(11)6-13-8;1-2/h8H,4-6H2,1-3H3;1-2H3
InChIKeyDISIEKDSTGMNGV-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.10
Rot. Bonds1

About tert-butyl 5-oxooxane-2-carboxylate;ethane

tert-butyl 5-oxooxane-2-carboxylate;ethane (PubChem CID 144712908) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is tert-butyl 5-oxooxane-2-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 5-oxooxane-2-carboxylate;ethane
PubChem CID144712908
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Nametert-butyl 5-oxooxane-2-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)C1CCC(=O)CO1
InChIInChI=1S/C10H16O4.C2H6/c1-10(2,3)14-9(12)8-5-4-7(11)6-13-8;1-2/h8H,4-6H2,1-3H3;1-2H3
InChIKeyDISIEKDSTGMNGV-UHFFFAOYSA-N
XLogP2.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl (3R)-4-oxooxolane-3-carboxylate
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tert-butyl cyclopropanecarboxylate
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ditert-butyl 3,6-dioxodiazinane-1,2-dicarboxylate
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tert-butyl (2S)-5-(cyanomethyl)oxane-2-carboxylate
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ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate
CID 118595373
tert-butyl 4-oxo-4-[(2S)-5-oxooxolan-2-yl]butanoate
CID 58491678
tert-butyl 3-oxo-10-azabicyclo[4.3.1]decane-10-carboxylate
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tert-butyl 2,7-dioxo-1,3-diazepane-4-carboxylate
CID 170452721
tert-butyl N-[2-(4-oxocyclohexyl)propan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-oxooxane-2-carboxylate;ethane?
The IUPAC name of tert-butyl 5-oxooxane-2-carboxylate;ethane (CID 144712908) is tert-butyl 5-oxooxane-2-carboxylate;ethane.
What is the SMILES notation for tert-butyl 5-oxooxane-2-carboxylate;ethane?
The canonical SMILES for tert-butyl 5-oxooxane-2-carboxylate;ethane is CC.CC(C)(C)OC(=O)C1CCC(=O)CO1.
What is the InChIKey of tert-butyl 5-oxooxane-2-carboxylate;ethane?
The InChIKey is DISIEKDSTGMNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4.C2H6/c1-10(2,3)14-9(12)8-5-4-7(11)6-13-8;1-2/h8H,4-6H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 5-oxooxane-2-carboxylate;ethane?
tert-butyl 5-oxooxane-2-carboxylate;ethane has a molecular weight of 230.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-oxooxane-2-carboxylate;ethane is sourced from PubChem (CID 144712908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).