6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan

C11H18O2 — CID 11298330

IUPAC6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
SMILESC=CCC12CCCC1(OC)OCC2
InChIInChI=1S/C11H18O2/c1-3-5-10-6-4-7-11(10,12-2)13-9-8-10/h3H,1,4-9H2,2H3
InChIKeyDQLFODAKWLFVNG-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds3

About 6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan

6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan (PubChem CID 11298330) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
PubChem CID11298330
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
SMILESC=CCC12CCCC1(OC)OCC2
InChIInChI=1S/C11H18O2/c1-3-5-10-6-4-7-11(10,12-2)13-9-8-10/h3H,1,4-9H2,2H3
InChIKeyDQLFODAKWLFVNG-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
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 6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The IUPAC name of 6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan (CID 11298330) is 6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan is C=CCC12CCCC1(OC)OCC2.
What is the InChIKey of 6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The InChIKey is DQLFODAKWLFVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-10-6-4-7-11(10,12-2)13-9-8-10/h3H,1,4-9H2,2H3.
What are the key properties of 6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan has a molecular weight of 182.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 11298330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).