tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane

C14H28O4 — CID 144998191

IUPACtert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)C1(CCO)CCOCC1
InChIInChI=1S/C12H22O4.C2H6/c1-11(2,3)16-10(14)12(4-7-13)5-8-15-9-6-12;1-2/h13H,4-9H2,1-3H3;1-2H3
InChIKeyFEWTXKXJOTTWDJ-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane

tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane (PubChem CID 144998191) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane
PubChem CID144998191
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Nametert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)C1(CCO)CCOCC1
InChIInChI=1S/C12H22O4.C2H6/c1-11(2,3)16-10(14)12(4-7-13)5-8-15-9-6-12;1-2/h13H,4-9H2,1-3H3;1-2H3
InChIKeyFEWTXKXJOTTWDJ-UHFFFAOYSA-N
XLogP2.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane (CID 144998191) is tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane is CC.CC(C)(C)OC(=O)C1(CCO)CCOCC1.
What is the InChIKey of tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane?
The InChIKey is FEWTXKXJOTTWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4.C2H6/c1-11(2,3)16-10(14)12(4-7-13)5-8-15-9-6-12;1-2/h13H,4-9H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane?
tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane has a molecular weight of 260.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane is sourced from PubChem (CID 144998191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).