(3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol

C8H18O3 — CID 56841193

IUPAC(3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
SMILESC[C@H](CCO)O[C@H](C)CCO
InChIInChI=1S/C8H18O3/c1-7(3-5-9)11-8(2)4-6-10/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyZIYSJVFROIOYRQ-HTQZYQBOSA-N
MW162.23 g/mol
LogP0.54
Rot. Bonds6

About (3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol

(3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol (PubChem CID 56841193) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is (3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
PubChem CID56841193
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name(3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
SMILESC[C@H](CCO)O[C@H](C)CCO
InChIInChI=1S/C8H18O3/c1-7(3-5-9)11-8(2)4-6-10/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyZIYSJVFROIOYRQ-HTQZYQBOSA-N
XLogP0.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
CID 56841194
2-butan-2-yloxybutane;3-methylbutan-1-ol
CID 175296093
4-hydroxybutan-2-yl nitrate
CID 122699892
hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium
CID 101015590
2-butan-2-yloxybutane;ethanol
CID 88614162
(3S)-3-(2-methylbutoxy)butan-1-ol
CID 87892017
3-(hydrazinylmethoxy)butan-1-ol
CID 167099986
3-(2-methylbutoxy)butan-1-ol
CID 87892018
3-[(2-ethylcyclopropyl)-(hydroxymethoxy)methoxy]butan-1-ol
CID 123886201
ethyl (3S)-3-[(2S)-4-hydroxybutan-2-yl]oxy-5-methylhexanoate
CID 102437108
3-(2,4,4-trimethylpentan-2-yloxy)butan-1-ol
CID 130392369
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol?
The IUPAC name of (3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol (CID 56841193) is (3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol.
What is the SMILES notation for (3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol?
The canonical SMILES for (3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol is C[C@H](CCO)O[C@H](C)CCO.
What is the InChIKey of (3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol?
The InChIKey is ZIYSJVFROIOYRQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18O3/c1-7(3-5-9)11-8(2)4-6-10/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol?
(3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol has a molecular weight of 162.23 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol is sourced from PubChem (CID 56841193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).