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

C9H14O2 — CID 56998353

IUPAC2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC=C1C(C)OC2OCCCC12
InChIInChI=1S/C9H14O2/c1-6-7(2)11-9-8(6)4-3-5-10-9/h7-9H,1,3-5H2,2H3
InChIKeyCBXDEXUVOCBRBU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.71
Rot. Bonds

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

2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (PubChem CID 56998353) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.

Molecular Properties

Compound Name2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
PubChem CID56998353
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC=C1C(C)OC2OCCCC12
InChIInChI=1S/C9H14O2/c1-6-7(2)11-9-8(6)4-3-5-10-9/h7-9H,1,3-5H2,2H3
InChIKeyCBXDEXUVOCBRBU-UHFFFAOYSA-N
XLogP1.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The IUPAC name of 2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (CID 56998353) is 2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.
What is the SMILES notation for 2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The canonical SMILES for 2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is C=C1C(C)OC2OCCCC12.
What is the InChIKey of 2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The InChIKey is CBXDEXUVOCBRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-7(2)11-9-8(6)4-3-5-10-9/h7-9H,1,3-5H2,2H3.
What are the key properties of 2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran has a molecular weight of 154.21 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is sourced from PubChem (CID 56998353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).