(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

C22H30O7 — CID 157308063

IUPAC(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
SMILESC=CCOC1OCC2C[C@@H](O)C=C21.C=CCOC1OCC2C[C@@H](OC(C)=O)C=C21
InChIInChI=1S/C12H16O4.C10H14O3/c1-3-4-14-12-11-6-10(16-8(2)13)5-9(11)7-15-12;1-2-3-12-10-9-5-8(11)4-7(9)6-13-10/h3,6,9-10,12H,1,4-5,7H2,2H3;2,5,7-8,10-11H,1,3-4,6H2/t9?,10-,12?;7?,8-,10?/m11/s1
InChIKeyBCSMMYVQRKABLR-INWBUFNDSA-N
MW406.48 g/mol
LogP2.28
Rot. Bonds7

About (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

(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 (PubChem CID 157308063) has the molecular formula C22H30O7 and a molecular weight of 406.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157308063
Molecular FormulaC22H30O7
Molecular Weight406.48 g/mol
Exact Mass406.20
IUPAC Name(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
SMILESC=CCOC1OCC2C[C@@H](O)C=C21.C=CCOC1OCC2C[C@@H](OC(C)=O)C=C21
InChIInChI=1S/C12H16O4.C10H14O3/c1-3-4-14-12-11-6-10(16-8(2)13)5-9(11)7-15-12;1-2-3-12-10-9-5-8(11)4-7(9)6-13-10/h3,6,9-10,12H,1,4-5,7H2,2H3;2,5,7-8,10-11H,1,3-4,6H2/t9?,10-,12?;7?,8-,10?/m11/s1
InChIKeyBCSMMYVQRKABLR-INWBUFNDSA-N
XLogP2.28
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

[(3R,5R,6aS)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
CID 11322052
[(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
CID 60096048
(3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl) acetate
CID 69887345
[(3R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
CID 142175386
(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
CID 159062981
[(3S,5S,6aR)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl] acetate
CID 101189184

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=CCOC1OCC2C[C@@H](O)C=C21.C=CCOC1OCC2C[C@@H](OC(C)=O)C=C21.
What is the InChIKey of (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?
The InChIKey is BCSMMYVQRKABLR-INWBUFNDSA-N. The full InChI is InChI=1S/C12H16O4.C10H14O3/c1-3-4-14-12-11-6-10(16-8(2)13)5-9(11)7-15-12;1-2-3-12-10-9-5-8(11)4-7(9)6-13-10/h3,6,9-10,12H,1,4-5,7H2,2H3;2,5,7-8,10-11H,1,3-4,6H2/t9?,10-,12?;7?,8-,10?/m11/s1.
What are the key properties of (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?
(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 has a molecular weight of 406.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157308063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).