1-(3-hydroxybutan-2-yloxy)butane-2,3-diol

C8H18O4 — CID 174717239

IUPAC1-(3-hydroxybutan-2-yloxy)butane-2,3-diol
SMILESCC(O)C(O)COC(C)C(C)O
InChIInChI=1S/C8H18O4/c1-5(9)7(3)12-4-8(11)6(2)10/h5-11H,4H2,1-3H3
InChIKeyOKXRJJLYZUMCBP-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.49
Rot. Bonds5

About 1-(3-hydroxybutan-2-yloxy)butane-2,3-diol

1-(3-hydroxybutan-2-yloxy)butane-2,3-diol (PubChem CID 174717239) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(3-hydroxybutan-2-yloxy)butane-2,3-diol.

Molecular Properties

Compound Name1-(3-hydroxybutan-2-yloxy)butane-2,3-diol
PubChem CID174717239
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name1-(3-hydroxybutan-2-yloxy)butane-2,3-diol
SMILESCC(O)C(O)COC(C)C(C)O
InChIInChI=1S/C8H18O4/c1-5(9)7(3)12-4-8(11)6(2)10/h5-11H,4H2,1-3H3
InChIKeyOKXRJJLYZUMCBP-UHFFFAOYSA-N
XLogP-0.49
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(hydroxymethoxy)butan-2-ol
CID 145435326
1-(2-methoxyethoxy)butane-2,3-diol
CID 87403280
3-(2,2-dimethylpropoxy)butan-2-ol
CID 551306
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
3-ethoxy-1-propan-2-yloxybutan-2-ol
CID 79567454
2-(2-hydroxypropoxy)hexan-3-ol
CID 22507183
(2R,3R)-3-octoxybutan-2-ol
CID 54496266
(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol
CID 103939578
3,4-dimethyl-1-propan-2-yloxypentan-2-ol
CID 115821423
3-(3-hydroxypentan-2-yloxy)propane-1,2-diol
CID 123265934

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutan-2-yloxy)butane-2,3-diol?
The IUPAC name of 1-(3-hydroxybutan-2-yloxy)butane-2,3-diol (CID 174717239) is 1-(3-hydroxybutan-2-yloxy)butane-2,3-diol.
What is the SMILES notation for 1-(3-hydroxybutan-2-yloxy)butane-2,3-diol?
The canonical SMILES for 1-(3-hydroxybutan-2-yloxy)butane-2,3-diol is CC(O)C(O)COC(C)C(C)O.
What is the InChIKey of 1-(3-hydroxybutan-2-yloxy)butane-2,3-diol?
The InChIKey is OKXRJJLYZUMCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-5(9)7(3)12-4-8(11)6(2)10/h5-11H,4H2,1-3H3.
What are the key properties of 1-(3-hydroxybutan-2-yloxy)butane-2,3-diol?
1-(3-hydroxybutan-2-yloxy)butane-2,3-diol has a molecular weight of 178.23 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutan-2-yloxy)butane-2,3-diol is sourced from PubChem (CID 174717239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).