(3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran

C10H16O2 — CID 135075466

IUPAC(3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
SMILESC=C(C)C1CO[C@@H]2OCCC[C@H]12
InChIInChI=1S/C10H16O2/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h8-10H,1,3-6H2,2H3/t8-,9?,10+/m1/s1
InChIKeyOFXFKPQEMUTCDI-FIBVVXLUSA-N
MW168.24 g/mol
LogP1.96
Rot. Bonds1

About (3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran

(3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran (PubChem CID 135075466) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran.

Molecular Properties

Compound Name(3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
PubChem CID135075466
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
SMILESC=C(C)C1CO[C@@H]2OCCC[C@H]12
InChIInChI=1S/C10H16O2/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h8-10H,1,3-6H2,2H3/t8-,9?,10+/m1/s1
InChIKeyOFXFKPQEMUTCDI-FIBVVXLUSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-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

Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran?
The IUPAC name of (3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran (CID 135075466) is (3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran.
What is the SMILES notation for (3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran?
The canonical SMILES for (3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran is C=C(C)C1CO[C@@H]2OCCC[C@H]12.
What is the InChIKey of (3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran?
The InChIKey is OFXFKPQEMUTCDI-FIBVVXLUSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h8-10H,1,3-6H2,2H3/t8-,9?,10+/m1/s1.
What are the key properties of (3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran?
(3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran has a molecular weight of 168.24 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-3-prop-1-en-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran is sourced from PubChem (CID 135075466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).