[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol

C11H20O3 — CID 98113125

IUPAC[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
SMILESOC[C@@H]1CCC[C@@H]1O[C@@H]1CCCCO1
InChIInChI=1S/C11H20O3/c12-8-9-4-3-5-10(9)14-11-6-1-2-7-13-11/h9-12H,1-8H2/t9-,10-,11+/m0/s1
InChIKeyVGPZOQUMOOQFOH-GARJFASQSA-N
MW200.28 g/mol
LogP1.69
Rot. Bonds3

About [(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol

[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol (PubChem CID 98113125) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
PubChem CID98113125
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
SMILESOC[C@@H]1CCC[C@@H]1O[C@@H]1CCCCO1
InChIInChI=1S/C11H20O3/c12-8-9-4-3-5-10(9)14-11-6-1-2-7-13-11/h9-12H,1-8H2/t9-,10-,11+/m0/s1
InChIKeyVGPZOQUMOOQFOH-GARJFASQSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 124784404
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198
4,4-difluoro-1-[2-(oxan-2-yloxy)cyclopentyl]octan-3-ol
CID 173153155
methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane
CID 67915115
2-methyl-2-(4-methylsulfonylphenyl)-3-[2-(oxan-2-yloxy)cyclopentyl]propanoic acid
CID 150396843
[(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate
CID 11255661
N,N-dimethyl-1-[2-(oxan-2-yloxy)cyclopropyl]methanamine
CID 22325111
(3aR,5R,6aS)-4-(hydroxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 73357579
(3aR,6aS)-4-(hydroxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67875628
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol?
The IUPAC name of [(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol (CID 98113125) is [(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol.
What is the SMILES notation for [(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol?
The canonical SMILES for [(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol is OC[C@@H]1CCC[C@@H]1O[C@@H]1CCCCO1.
What is the InChIKey of [(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol?
The InChIKey is VGPZOQUMOOQFOH-GARJFASQSA-N. The full InChI is InChI=1S/C11H20O3/c12-8-9-4-3-5-10(9)14-11-6-1-2-7-13-11/h9-12H,1-8H2/t9-,10-,11+/m0/s1.
What are the key properties of [(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol?
[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol has a molecular weight of 200.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol is sourced from PubChem (CID 98113125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).