[(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol

C11H18O2 — CID 134954585

IUPAC[(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol
SMILESOCC1=C[C@H](C2CCCCC2)OC1
InChIInChI=1S/C11H18O2/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10/h6,10-12H,1-5,7-8H2/t11-/m1/s1
InChIKeyGTORHBSZEPSZIW-LLVKDONJSA-N
MW182.26 g/mol
LogP1.88
Rot. Bonds2

About [(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol

[(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol (PubChem CID 134954585) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol.

Molecular Properties

Compound Name[(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol
PubChem CID134954585
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol
SMILESOCC1=C[C@H](C2CCCCC2)OC1
InChIInChI=1S/C11H18O2/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10/h6,10-12H,1-5,7-8H2/t11-/m1/s1
InChIKeyGTORHBSZEPSZIW-LLVKDONJSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.88
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 [(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol?
The IUPAC name of [(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol (CID 134954585) is [(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol.
What is the SMILES notation for [(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol?
The canonical SMILES for [(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol is OCC1=C[C@H](C2CCCCC2)OC1.
What is the InChIKey of [(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol?
The InChIKey is GTORHBSZEPSZIW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18O2/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10/h6,10-12H,1-5,7-8H2/t11-/m1/s1.
What are the key properties of [(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol?
[(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol has a molecular weight of 182.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-cyclohexyl-2,5-dihydrofuran-3-yl]methanol is sourced from PubChem (CID 134954585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).