[(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate

C12H16O4 — CID 142175386

IUPAC[(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
SMILESC=CCO[C@@H]1OCC2CC(OC(C)=O)C=C21
InChIInChI=1S/C12H16O4/c1-3-4-14-12-11-6-10(16-8(2)13)5-9(11)7-15-12/h3,6,9-10,12H,1,4-5,7H2,2H3/t9?,10?,12-/m1/s1
InChIKeyXKEZWOQZSWKVOL-RTYFJBAXSA-N
MW224.26 g/mol
LogP1.42
Rot. Bonds4

About [(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate

[(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate (PubChem CID 142175386) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate.

Molecular Properties

Compound Name[(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
PubChem CID142175386
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
SMILESC=CCO[C@@H]1OCC2CC(OC(C)=O)C=C21
InChIInChI=1S/C12H16O4/c1-3-4-14-12-11-6-10(16-8(2)13)5-9(11)7-15-12/h3,6,9-10,12H,1,4-5,7H2,2H3/t9?,10?,12-/m1/s1
InChIKeyXKEZWOQZSWKVOL-RTYFJBAXSA-N
XLogP1.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3aS,4R,6aS)-4-(dimethoxymethyl)-5-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
CID 24812687
[(3R,5R,6aS)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
CID 11322052
[(1R,4aS,6R)-1-but-3-enoxy-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-yl] methyl carbonate
CID 11482559
[(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
CID 60096048
[(3aR,6S,6aS)-4-[1-(methoxymethoxy)ethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] acetate
CID 67902463
1-Butoxyethyl 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetate
CID 69022350
1-Ethoxyethyl 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetate
CID 69024637
(3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate
CID 69887345
methyl 2-[(2R)-2-methoxy-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]acetate
CID 69935661
methyl 2-(2-methoxy-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl)acetate
CID 69935668
(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;[(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
CID 157308063
(3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate
CID 4866796

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate?
The IUPAC name of [(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate (CID 142175386) is [(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate.
What is the SMILES notation for [(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate?
The canonical SMILES for [(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate is C=CCO[C@@H]1OCC2CC(OC(C)=O)C=C21.
What is the InChIKey of [(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate?
The InChIKey is XKEZWOQZSWKVOL-RTYFJBAXSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-4-14-12-11-6-10(16-8(2)13)5-9(11)7-15-12/h3,6,9-10,12H,1,4-5,7H2,2H3/t9?,10?,12-/m1/s1.
What are the key properties of [(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate?
[(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate has a molecular weight of 224.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate is sourced from PubChem (CID 142175386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).