3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran

C11H14O2 — CID 22298004

IUPAC3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC#CCC1OC2OCCCC2C1=C
InChIInChI=1S/C11H14O2/c1-3-5-10-8(2)9-6-4-7-12-11(9)13-10/h1,9-11H,2,4-7H2
InChIKeyIWAPGRFMZABJSI-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.72
Rot. Bonds1

About 3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran

3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (PubChem CID 22298004) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.

Molecular Properties

Compound Name3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
PubChem CID22298004
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC#CCC1OC2OCCCC2C1=C
InChIInChI=1S/C11H14O2/c1-3-5-10-8(2)9-6-4-7-12-11(9)13-10/h1,9-11H,2,4-7H2
InChIKeyIWAPGRFMZABJSI-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The IUPAC name of 3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (CID 22298004) is 3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.
What is the SMILES notation for 3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The canonical SMILES for 3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is C#CCC1OC2OCCCC2C1=C.
What is the InChIKey of 3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The InChIKey is IWAPGRFMZABJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-5-10-8(2)9-6-4-7-12-11(9)13-10/h1,9-11H,2,4-7H2.
What are the key properties of 3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran has a molecular weight of 178.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is sourced from PubChem (CID 22298004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).