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

C8H12O2 — CID 11815452

IUPAC3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC=C1COC2OCCCC12
InChIInChI=1S/C8H12O2/c1-6-5-10-8-7(6)3-2-4-9-8/h7-8H,1-5H2
InChIKeyJOTUIXLVJRSCJP-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.33
Rot. Bonds

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

3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (PubChem CID 11815452) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.

Molecular Properties

Compound Name3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
PubChem CID11815452
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC=C1COC2OCCCC12
InChIInChI=1S/C8H12O2/c1-6-5-10-8-7(6)3-2-4-9-8/h7-8H,1-5H2
InChIKeyJOTUIXLVJRSCJP-UHFFFAOYSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 11041107
rac-(3Z,3aR,7aS)-3-(iodomethylidene)-hexahydro-2H-furo[2,3-b]pyran
CID 11086688
(3aR,7aS)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 13775279
(3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 101228533
(3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 135075466
(7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 162400652
(3Z)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 176431596
(2R,3aS,7aS)-3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 638736
3-methylidene-2-prop-2-ynyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 22298004
5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran
CID 20764067
2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 56998353
6-ethoxy-4-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 141740164

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The IUPAC name of 3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (CID 11815452) is 3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.
What is the SMILES notation for 3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The canonical SMILES for 3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is C=C1COC2OCCCC12.
What is the InChIKey of 3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The InChIKey is JOTUIXLVJRSCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-5-10-8-7(6)3-2-4-9-8/h7-8H,1-5H2.
What are the key properties of 3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran has a molecular weight of 140.18 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is sourced from PubChem (CID 11815452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).