(2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran

C11H16O2 — CID 101084232

IUPAC(2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran
SMILESC=C[C@@H]1C[C@]2(CC)OCC=C[C@@H]2O1
InChIInChI=1S/C11H16O2/c1-3-9-8-11(4-2)10(13-9)6-5-7-12-11/h3,5-6,9-10H,1,4,7-8H2,2H3/t9-,10+,11+/m1/s1
InChIKeyBYZBEJOYHPJTKQ-VWYCJHECSA-N
MW180.25 g/mol
LogP2.07
Rot. Bonds2

About (2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran

(2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran (PubChem CID 101084232) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran.

Molecular Properties

Compound Name(2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran
PubChem CID101084232
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran
SMILESC=C[C@@H]1C[C@]2(CC)OCC=C[C@@H]2O1
InChIInChI=1S/C11H16O2/c1-3-9-8-11(4-2)10(13-9)6-5-7-12-11/h3,5-6,9-10H,1,4,7-8H2,2H3/t9-,10+,11+/m1/s1
InChIKeyBYZBEJOYHPJTKQ-VWYCJHECSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran with MolForge

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Related Compounds

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5,6-Dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene
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5,6-Dimethoxy methyl-7-oxanorbornene
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CID 69022903
(1S,2S,4S)-2-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol
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(2S,5R)-5-but-3-enyl-2-(methoxymethyl)-3,5-dimethyl-2H-furan
CID 11469648
(1S,2R,4S)-2-ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 14661575
5,6-Bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 85404952
5-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 91147298
5-tert-butyl-5-(2,3-dimethyloxiran-2-yl)-2-methyl-2H-furan
CID 134928349
(2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran
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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran?
The IUPAC name of (2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran (CID 101084232) is (2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran.
What is the SMILES notation for (2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran?
The canonical SMILES for (2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran is C=C[C@@H]1C[C@]2(CC)OCC=C[C@@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran?
The InChIKey is BYZBEJOYHPJTKQ-VWYCJHECSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-9-8-11(4-2)10(13-9)6-5-7-12-11/h3,5-6,9-10H,1,4,7-8H2,2H3/t9-,10+,11+/m1/s1.
What are the key properties of (2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran?
(2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran has a molecular weight of 180.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-2-ethenyl-3a-ethyl-2,3,5,7a-tetrahydrofuro[3,2-b]pyran is sourced from PubChem (CID 101084232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).