tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate

C14H22O4 — CID 15091166

IUPACtert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate
SMILESCCC1=C(C(=O)OC(C)(C)C)CC2CCOC2O1
InChIInChI=1S/C14H22O4/c1-5-11-10(12(15)18-14(2,3)4)8-9-6-7-16-13(9)17-11/h9,13H,5-8H2,1-4H3
InChIKeyOIIVUOOKDJDPMP-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.78
Rot. Bonds2

About tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate

tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate (PubChem CID 15091166) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate
PubChem CID15091166
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Nametert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate
SMILESCCC1=C(C(=O)OC(C)(C)C)CC2CCOC2O1
InChIInChI=1S/C14H22O4/c1-5-11-10(12(15)18-14(2,3)4)8-9-6-7-16-13(9)17-11/h9,13H,5-8H2,1-4H3
InChIKeyOIIVUOOKDJDPMP-UHFFFAOYSA-N
XLogP2.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate
CID 11159928
methyl (1S,4aS,7aS)-1-acetyloxy-7-(acetyloxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
CID 59131279
methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 11807295
methyl (2R,4R)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506602
methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506603
methyl (2R,4S)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506604
methyl (2R,4R)-2-ethoxy-6-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506605
methyl (2R,4S)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506610
methyl (2R,4R)-2-butoxy-6-methyl-4-pentyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506617
methyl (2R,4S)-2-butoxy-6-methyl-4-pentyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506618
(3S,7S)-12-methyl-2,4,11-trioxatricyclo[7.4.0.03,7]trideca-1(9),12-dien-10-one
CID 139093734
tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate
CID 15091168

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate?
The IUPAC name of tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate (CID 15091166) is tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate.
What is the SMILES notation for tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate?
The canonical SMILES for tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate is CCC1=C(C(=O)OC(C)(C)C)CC2CCOC2O1.
What is the InChIKey of tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate?
The InChIKey is OIIVUOOKDJDPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-5-11-10(12(15)18-14(2,3)4)8-9-6-7-16-13(9)17-11/h9,13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate?
tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate is sourced from PubChem (CID 15091166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).