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

C19H24O4 — CID 139984113

IUPAC(3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate
SMILESC=CCC12CCCC1(OC(=O)C(OC)c1ccccc1)OCC2
InChIInChI=1S/C19H24O4/c1-3-10-18-11-7-12-19(18,22-14-13-18)23-17(20)16(21-2)15-8-5-4-6-9-15/h3-6,8-9,16H,1,7,10-14H2,2H3
InChIKeyOAUWUEYRWZQWDO-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.78
Rot. Bonds6

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

(3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate (PubChem CID 139984113) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name(3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate
PubChem CID139984113
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name(3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate
SMILESC=CCC12CCCC1(OC(=O)C(OC)c1ccccc1)OCC2
InChIInChI=1S/C19H24O4/c1-3-10-18-11-7-12-19(18,22-14-13-18)23-17(20)16(21-2)15-8-5-4-6-9-15/h3-6,8-9,16H,1,7,10-14H2,2H3
InChIKeyOAUWUEYRWZQWDO-UHFFFAOYSA-N
XLogP3.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate?
The IUPAC name of (3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate (CID 139984113) is (3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate.
What is the SMILES notation for (3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate?
The canonical SMILES for (3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate is C=CCC12CCCC1(OC(=O)C(OC)c1ccccc1)OCC2.
What is the InChIKey of (3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate?
The InChIKey is OAUWUEYRWZQWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-3-10-18-11-7-12-19(18,22-14-13-18)23-17(20)16(21-2)15-8-5-4-6-9-15/h3-6,8-9,16H,1,7,10-14H2,2H3.
What are the key properties of (3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate?
(3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate has a molecular weight of 316.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl) 2-methoxy-2-phenylacetate is sourced from PubChem (CID 139984113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).