(2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol

C11H14O3 — CID 122631824

IUPAC(2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol
SMILESC=C[C@H]1O[C@H]2C(=C[C@H]1O)C(=C)O[C@H]2C
InChIInChI=1S/C11H14O3/c1-4-10-9(12)5-8-6(2)13-7(3)11(8)14-10/h4-5,7,9-12H,1-2H2,3H3/t7-,9+,10+,11+/m0/s1
InChIKeyCLELXYJFWJFTBB-AYHFEMFVSA-N
MW194.23 g/mol
LogP1.16
Rot. Bonds1

About (2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol

(2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol (PubChem CID 122631824) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol.

Molecular Properties

Compound Name(2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol
PubChem CID122631824
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol
SMILESC=C[C@H]1O[C@H]2C(=C[C@H]1O)C(=C)O[C@H]2C
InChIInChI=1S/C11H14O3/c1-4-10-9(12)5-8-6(2)13-7(3)11(8)14-10/h4-5,7,9-12H,1-2H2,3H3/t7-,9+,10+,11+/m0/s1
InChIKeyCLELXYJFWJFTBB-AYHFEMFVSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol?
The IUPAC name of (2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol (CID 122631824) is (2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol.
What is the SMILES notation for (2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol?
The canonical SMILES for (2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol is C=C[C@H]1O[C@H]2C(=C[C@H]1O)C(=C)O[C@H]2C.
What is the InChIKey of (2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol?
The InChIKey is CLELXYJFWJFTBB-AYHFEMFVSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-10-9(12)5-8-6(2)13-7(3)11(8)14-10/h4-5,7,9-12H,1-2H2,3H3/t7-,9+,10+,11+/m0/s1.
What are the key properties of (2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol?
(2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol has a molecular weight of 194.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,7S,7aS)-2-ethenyl-7-methyl-5-methylidene-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-3-ol is sourced from PubChem (CID 122631824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).