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

C8H18O4 — CID 89306364

IUPAC2-(3-hydroxybutan-2-yloxy)butane-2,3-diol
SMILESCC(O)C(C)OC(C)(O)C(C)O
InChIInChI=1S/C8H18O4/c1-5(9)6(2)12-8(4,11)7(3)10/h5-7,9-11H,1-4H3
InChIKeyUUNMFYFSDHAOBE-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.14
Rot. Bonds4

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

2-(3-hydroxybutan-2-yloxy)butane-2,3-diol (PubChem CID 89306364) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-yloxy)butane-2,3-diol.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-yloxy)butane-2,3-diol
PubChem CID89306364
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name2-(3-hydroxybutan-2-yloxy)butane-2,3-diol
SMILESCC(O)C(C)OC(C)(O)C(C)O
InChIInChI=1S/C8H18O4/c1-5(9)6(2)12-8(4,11)7(3)10/h5-7,9-11H,1-4H3
InChIKeyUUNMFYFSDHAOBE-UHFFFAOYSA-N
XLogP-0.14
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid
CID 103377767
3-(1-hydroxyethyl)-2,4-dimethylpentane-2,4-diol
CID 87799633
2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid
CID 103377761
3-(2,2-dimethylpropoxy)butan-2-ol
CID 551306
3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
CID 21495812
3-tert-butyl-4,4-dimethylpentan-2-ol
CID 59805518
(2S,3S)-3-hydroperoxybutan-2-ol
CID 133064662
3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol
CID 103377208
1,3-di(butan-2-yloxy)-1,3-bis(3-hydroxybutan-2-yloxy)-2,2-dimethylpropan-1-ol
CID 139705617
methanol;2-methylpropan-2-ol;bis(propan-2-ol)
CID 173031794
tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575
2,3-dimethylpentane-2,4-diol
CID 12896299

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-yloxy)butane-2,3-diol?
The IUPAC name of 2-(3-hydroxybutan-2-yloxy)butane-2,3-diol (CID 89306364) is 2-(3-hydroxybutan-2-yloxy)butane-2,3-diol.
What is the SMILES notation for 2-(3-hydroxybutan-2-yloxy)butane-2,3-diol?
The canonical SMILES for 2-(3-hydroxybutan-2-yloxy)butane-2,3-diol is CC(O)C(C)OC(C)(O)C(C)O.
What is the InChIKey of 2-(3-hydroxybutan-2-yloxy)butane-2,3-diol?
The InChIKey is UUNMFYFSDHAOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-5(9)6(2)12-8(4,11)7(3)10/h5-7,9-11H,1-4H3.
What are the key properties of 2-(3-hydroxybutan-2-yloxy)butane-2,3-diol?
2-(3-hydroxybutan-2-yloxy)butane-2,3-diol has a molecular weight of 178.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-yloxy)butane-2,3-diol is sourced from PubChem (CID 89306364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).