(2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol

C9H14O3 — CID 67741436

IUPAC(2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol
SMILESCC[C@H](O)CO[C@H]1C=CC=CO1
InChIInChI=1S/C9H14O3/c1-2-8(10)7-12-9-5-3-4-6-11-9/h3-6,8-10H,2,7H2,1H3/t8-,9-/m0/s1
InChIKeyBEEIYFTYLPOUBT-IUCAKERBSA-N
MW170.21 g/mol
LogP1.20
Rot. Bonds4

About (2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol

(2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol (PubChem CID 67741436) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol
PubChem CID67741436
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol
SMILESCC[C@H](O)CO[C@H]1C=CC=CO1
InChIInChI=1S/C9H14O3/c1-2-8(10)7-12-9-5-3-4-6-11-9/h3-6,8-10H,2,7H2,1H3/t8-,9-/m0/s1
InChIKeyBEEIYFTYLPOUBT-IUCAKERBSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2H-pyran-2-yloxy)propane-1,2-diol
CID 19430042
2-[[6-(1,3-dioxolan-2-yl)-2H-pyran-2-yl]oxy]ethanol
CID 21452258
1-Hexa-2,4-dien-3-yloxy-1-[4-(1-hexa-2,4-dien-3-yloxy-2-hydroxypropoxy)butoxy]propan-2-ol
CID 54018761
4-(2H-pyran-2-yloxy)butan-2-ol
CID 54056054
2-(2H-pyran-6-yloxy)propan-1-ol
CID 54185501
4-(2H-pyran-6-yloxy)butan-2-ol
CID 57029825
1-(Phenoxy)butan-2-ol;2-(phenoxy)oxetane;yttrium
CID 57605270
2-Pyranyloxy ethanol
CID 66776924
2-[2-[2-[2-(2H-pyran-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 67588712
(3S)-2-methyl-3-[[(2S)-2H-pyran-2-yl]oxy]butan-1-ol
CID 67784751
2,3-di(propan-2-yloxy)-2H-pyran
CID 67849419
2-[[(2R)-2H-pyran-2-yl]oxy]propan-1-ol
CID 67865693

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol?
The IUPAC name of (2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol (CID 67741436) is (2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol.
What is the SMILES notation for (2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol?
The canonical SMILES for (2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol is CC[C@H](O)CO[C@H]1C=CC=CO1.
What is the InChIKey of (2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol?
The InChIKey is BEEIYFTYLPOUBT-IUCAKERBSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-8(10)7-12-9-5-3-4-6-11-9/h3-6,8-10H,2,7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol?
(2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol has a molecular weight of 170.21 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(2R)-2H-pyran-2-yl]oxy]butan-2-ol is sourced from PubChem (CID 67741436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).