5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran

C11H18O3 — CID 20764067

IUPAC5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran
SMILESC=C1COC2C(C)OC(OCC)CC12
InChIInChI=1S/C11H18O3/c1-4-12-10-5-9-7(2)6-13-11(9)8(3)14-10/h8-11H,2,4-6H2,1,3H3
InChIKeyUOPYIESOKKDNOK-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.73
Rot. Bonds2

About 5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran

5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran (PubChem CID 20764067) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran.

Molecular Properties

Compound Name5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran
PubChem CID20764067
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran
SMILESC=C1COC2C(C)OC(OCC)CC12
InChIInChI=1S/C11H18O3/c1-4-12-10-5-9-7(2)6-13-11(9)8(3)14-10/h8-11H,2,4-6H2,1,3H3
InChIKeyUOPYIESOKKDNOK-UHFFFAOYSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
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 5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran?
The IUPAC name of 5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran (CID 20764067) is 5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran.
What is the SMILES notation for 5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran?
The canonical SMILES for 5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran is C=C1COC2C(C)OC(OCC)CC12.
What is the InChIKey of 5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran?
The InChIKey is UOPYIESOKKDNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-12-10-5-9-7(2)6-13-11(9)8(3)14-10/h8-11H,2,4-6H2,1,3H3.
What are the key properties of 5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran?
5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran has a molecular weight of 198.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran is sourced from PubChem (CID 20764067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).