[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate

C10H14O4 — CID 90223917

IUPAC[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate
SMILESC=C[C@@H](OC(=O)OCC)[C@H]1C=CCO1
InChIInChI=1S/C10H14O4/c1-3-8(9-6-5-7-13-9)14-10(11)12-4-2/h3,5-6,8-9H,1,4,7H2,2H3/t8-,9-/m1/s1
InChIKeyKLRDHSOTCSVSNO-RKDXNWHRSA-N
MW198.22 g/mol
LogP1.67
Rot. Bonds4

About [(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate

[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate (PubChem CID 90223917) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate.

Molecular Properties

Compound Name[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate
PubChem CID90223917
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate
SMILESC=C[C@@H](OC(=O)OCC)[C@H]1C=CCO1
InChIInChI=1S/C10H14O4/c1-3-8(9-6-5-7-13-9)14-10(11)12-4-2/h3,5-6,8-9H,1,4,7H2,2H3/t8-,9-/m1/s1
InChIKeyKLRDHSOTCSVSNO-RKDXNWHRSA-N
XLogP1.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.67
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 [(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate?
The IUPAC name of [(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate (CID 90223917) is [(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate.
What is the SMILES notation for [(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate?
The canonical SMILES for [(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate is C=C[C@@H](OC(=O)OCC)[C@H]1C=CCO1.
What is the InChIKey of [(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate?
The InChIKey is KLRDHSOTCSVSNO-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-8(9-6-5-7-13-9)14-10(11)12-4-2/h3,5-6,8-9H,1,4,7H2,2H3/t8-,9-/m1/s1.
What are the key properties of [(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate?
[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate has a molecular weight of 198.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enyl] ethyl carbonate is sourced from PubChem (CID 90223917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).