(2S)-2-(oxan-2-yloxy)pentan-3-ol

C10H20O3 — CID 89265028

IUPAC(2S)-2-(oxan-2-yloxy)pentan-3-ol
SMILESCCC(O)[C@H](C)OC1CCCCO1
InChIInChI=1S/C10H20O3/c1-3-9(11)8(2)13-10-6-4-5-7-12-10/h8-11H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyWMRAPDWJAPVEME-IDKOKCKLSA-N
MW188.27 g/mol
LogP1.69
Rot. Bonds4

About (2S)-2-(oxan-2-yloxy)pentan-3-ol

(2S)-2-(oxan-2-yloxy)pentan-3-ol (PubChem CID 89265028) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-(oxan-2-yloxy)pentan-3-ol.

Molecular Properties

Compound Name(2S)-2-(oxan-2-yloxy)pentan-3-ol
PubChem CID89265028
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2S)-2-(oxan-2-yloxy)pentan-3-ol
SMILESCCC(O)[C@H](C)OC1CCCCO1
InChIInChI=1S/C10H20O3/c1-3-9(11)8(2)13-10-6-4-5-7-12-10/h8-11H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyWMRAPDWJAPVEME-IDKOKCKLSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yloxyoxane
CID 559028
(2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol
CID 167158778
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol
CID 54016843
[(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 90284220
2-(oxan-2-yloxy)propanoic acid
CID 542280
3-(oxan-2-yloxy)butanoic acid
CID 14279636
2-[(Z,2S)-hex-3-en-2-yl]oxyoxane
CID 58329904
(7R)-7-methyl-10-(oxan-2-yloxy)henicosan-8-ol
CID 70401904
(3S)-2-(2,2-difluoroethylamino)-3-(oxan-2-yloxy)butan-1-ol
CID 169181575
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxan-2-yloxy)pentan-3-ol?
The IUPAC name of (2S)-2-(oxan-2-yloxy)pentan-3-ol (CID 89265028) is (2S)-2-(oxan-2-yloxy)pentan-3-ol.
What is the SMILES notation for (2S)-2-(oxan-2-yloxy)pentan-3-ol?
The canonical SMILES for (2S)-2-(oxan-2-yloxy)pentan-3-ol is CCC(O)[C@H](C)OC1CCCCO1.
What is the InChIKey of (2S)-2-(oxan-2-yloxy)pentan-3-ol?
The InChIKey is WMRAPDWJAPVEME-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-9(11)8(2)13-10-6-4-5-7-12-10/h8-11H,3-7H2,1-2H3/t8-,9?,10?/m0/s1.
What are the key properties of (2S)-2-(oxan-2-yloxy)pentan-3-ol?
(2S)-2-(oxan-2-yloxy)pentan-3-ol has a molecular weight of 188.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxan-2-yloxy)pentan-3-ol is sourced from PubChem (CID 89265028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).