methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate

C17H20O5 — CID 58794648

IUPACmethyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@]12CC(c3ccc(OC)cc3)OC1CCO2
InChIInChI=1S/C17H20O5/c1-11(16(18)20-3)17-10-14(22-15(17)8-9-21-17)12-4-6-13(19-2)7-5-12/h4-7,14-15H,1,8-10H2,2-3H3/t14?,15?,17-/m1/s1
InChIKeyNJHATUXNHNGRIP-VMBOVVBDSA-N
MW304.34 g/mol
LogP2.41
Rot. Bonds4

About methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate

methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate (PubChem CID 58794648) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate
PubChem CID58794648
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Namemethyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@]12CC(c3ccc(OC)cc3)OC1CCO2
InChIInChI=1S/C17H20O5/c1-11(16(18)20-3)17-10-14(22-15(17)8-9-21-17)12-4-6-13(19-2)7-5-12/h4-7,14-15H,1,8-10H2,2-3H3/t14?,15?,17-/m1/s1
InChIKeyNJHATUXNHNGRIP-VMBOVVBDSA-N
XLogP2.41
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate 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 methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate?
The IUPAC name of methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate (CID 58794648) is methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate?
The canonical SMILES for methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate is C=C(C(=O)OC)[C@]12CC(c3ccc(OC)cc3)OC1CCO2.
What is the InChIKey of methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate?
The InChIKey is NJHATUXNHNGRIP-VMBOVVBDSA-N. The full InChI is InChI=1S/C17H20O5/c1-11(16(18)20-3)17-10-14(22-15(17)8-9-21-17)12-4-6-13(19-2)7-5-12/h4-7,14-15H,1,8-10H2,2-3H3/t14?,15?,17-/m1/s1.
What are the key properties of methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate?
methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate has a molecular weight of 304.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6aR)-5-(4-methoxyphenyl)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6a-yl]prop-2-enoate is sourced from PubChem (CID 58794648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).