1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone

C10H14O2 — CID 45086383

IUPAC1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone
SMILESC/C=C\[C@@H]1CC(C(C)=O)=C(C)O1
InChIInChI=1S/C10H14O2/c1-4-5-9-6-10(7(2)11)8(3)12-9/h4-5,9H,6H2,1-3H3/b5-4-/t9-/m1/s1
InChIKeyRTAZVRNNHKEHFZ-XRVBUDJMSA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds2

About 1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone

1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone (PubChem CID 45086383) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone
PubChem CID45086383
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone
SMILESC/C=C\[C@@H]1CC(C(C)=O)=C(C)O1
InChIInChI=1S/C10H14O2/c1-4-5-9-6-10(7(2)11)8(3)12-9/h4-5,9H,6H2,1-3H3/b5-4-/t9-/m1/s1
InChIKeyRTAZVRNNHKEHFZ-XRVBUDJMSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone?
The IUPAC name of 1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone (CID 45086383) is 1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone.
What is the SMILES notation for 1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone?
The canonical SMILES for 1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone is C/C=C\[C@@H]1CC(C(C)=O)=C(C)O1.
What is the InChIKey of 1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone?
The InChIKey is RTAZVRNNHKEHFZ-XRVBUDJMSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-5-9-6-10(7(2)11)8(3)12-9/h4-5,9H,6H2,1-3H3/b5-4-/t9-/m1/s1.
What are the key properties of 1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone?
1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone has a molecular weight of 166.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-5-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone is sourced from PubChem (CID 45086383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).