2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol

C9H14O3 — CID 11435184

IUPAC2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol
SMILESC=C(OC)[C@@H]1C=C[C@H](CCO)O1
InChIInChI=1S/C9H14O3/c1-7(11-2)9-4-3-8(12-9)5-6-10/h3-4,8-10H,1,5-6H2,2H3/t8-,9+/m1/s1
InChIKeyGIOUUDZWHVZBCP-BDAKNGLRSA-N
MW170.21 g/mol
LogP0.85
Rot. Bonds4

About 2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol

2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol (PubChem CID 11435184) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol
PubChem CID11435184
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol
SMILESC=C(OC)[C@@H]1C=C[C@H](CCO)O1
InChIInChI=1S/C9H14O3/c1-7(11-2)9-4-3-8(12-9)5-6-10/h3-4,8-10H,1,5-6H2,2H3/t8-,9+/m1/s1
InChIKeyGIOUUDZWHVZBCP-BDAKNGLRSA-N
XLogP0.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol?
The IUPAC name of 2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol (CID 11435184) is 2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol?
The canonical SMILES for 2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol is C=C(OC)[C@@H]1C=C[C@H](CCO)O1.
What is the InChIKey of 2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol?
The InChIKey is GIOUUDZWHVZBCP-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14O3/c1-7(11-2)9-4-3-8(12-9)5-6-10/h3-4,8-10H,1,5-6H2,2H3/t8-,9+/m1/s1.
What are the key properties of 2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol?
2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol has a molecular weight of 170.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-(1-methoxyethenyl)-2,5-dihydrofuran-2-yl]ethanol is sourced from PubChem (CID 11435184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).