ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol

C8H16O2 — CID 91450046

IUPACethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol
SMILESCC.C[C@H]1C=C[C@@H](CO)O1
InChIInChI=1S/C6H10O2.C2H6/c1-5-2-3-6(4-7)8-5;1-2/h2-3,5-7H,4H2,1H3;1-2H3/t5-,6-;/m0./s1
InChIKeyJWAQYOMRIOVXTJ-GEMLJDPKSA-N
MW144.21 g/mol
LogP1.35
Rot. Bonds1

About ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol

ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol (PubChem CID 91450046) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol.

Molecular Properties

Compound Nameethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol
PubChem CID91450046
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nameethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol
SMILESCC.C[C@H]1C=C[C@@H](CO)O1
InChIInChI=1S/C6H10O2.C2H6/c1-5-2-3-6(4-7)8-5;1-2/h2-3,5-7H,4H2,1H3;1-2H3/t5-,6-;/m0./s1
InChIKeyJWAQYOMRIOVXTJ-GEMLJDPKSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
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 ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol?
The IUPAC name of ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol (CID 91450046) is ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol.
What is the SMILES notation for ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol?
The canonical SMILES for ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol is CC.C[C@H]1C=C[C@@H](CO)O1.
What is the InChIKey of ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol?
The InChIKey is JWAQYOMRIOVXTJ-GEMLJDPKSA-N. The full InChI is InChI=1S/C6H10O2.C2H6/c1-5-2-3-6(4-7)8-5;1-2/h2-3,5-7H,4H2,1H3;1-2H3/t5-,6-;/m0./s1.
What are the key properties of ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol?
ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol has a molecular weight of 144.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methanol is sourced from PubChem (CID 91450046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).