ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate

C15H22O4 — CID 87656739

IUPACethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate
SMILESC#CCC12CCC[C@@]1(OC(C)C(=O)OCC)OCC2
InChIInChI=1S/C15H22O4/c1-4-7-14-8-6-9-15(14,18-11-10-14)19-12(3)13(16)17-5-2/h1,12H,5-11H2,2-3H3/t12?,14?,15-/m0/s1
InChIKeyMGIASGQTIGUQEX-ZALBZXLWSA-N
MW266.34 g/mol
LogP2.26
Rot. Bonds5

About ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate

ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate (PubChem CID 87656739) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate
PubChem CID87656739
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate
SMILESC#CCC12CCC[C@@]1(OC(C)C(=O)OCC)OCC2
InChIInChI=1S/C15H22O4/c1-4-7-14-8-6-9-15(14,18-11-10-14)19-12(3)13(16)17-5-2/h1,12H,5-11H2,2-3H3/t12?,14?,15-/m0/s1
InChIKeyMGIASGQTIGUQEX-ZALBZXLWSA-N
XLogP2.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate?
The IUPAC name of ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate (CID 87656739) is ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate.
What is the SMILES notation for ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate?
The canonical SMILES for ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate is C#CCC12CCC[C@@]1(OC(C)C(=O)OCC)OCC2.
What is the InChIKey of ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate?
The InChIKey is MGIASGQTIGUQEX-ZALBZXLWSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-7-14-8-6-9-15(14,18-11-10-14)19-12(3)13(16)17-5-2/h1,12H,5-11H2,2-3H3/t12?,14?,15-/m0/s1.
What are the key properties of ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate?
ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate has a molecular weight of 266.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate is sourced from PubChem (CID 87656739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).