(2S)-2-ethoxybutane-1,4-diol

C6H14O3 — CID 89342985

IUPAC(2S)-2-ethoxybutane-1,4-diol
SMILESCCO[C@H](CO)CCO
InChIInChI=1S/C6H14O3/c1-2-9-6(5-8)3-4-7/h6-8H,2-5H2,1H3/t6-/m0/s1
InChIKeyIRZLMNRFLJUTJZ-LURJTMIESA-N
MW134.18 g/mol
LogP-0.23
Rot. Bonds5

About (2S)-2-ethoxybutane-1,4-diol

(2S)-2-ethoxybutane-1,4-diol (PubChem CID 89342985) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is (2S)-2-ethoxybutane-1,4-diol.

Molecular Properties

Compound Name(2S)-2-ethoxybutane-1,4-diol
PubChem CID89342985
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name(2S)-2-ethoxybutane-1,4-diol
SMILESCCO[C@H](CO)CCO
InChIInChI=1S/C6H14O3/c1-2-9-6(5-8)3-4-7/h6-8H,2-5H2,1H3/t6-/m0/s1
InChIKeyIRZLMNRFLJUTJZ-LURJTMIESA-N
XLogP-0.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxyheptane-1,7-diol
CID 57097049
(2S)-2-ethoxybutan-1-ol
CID 89167253
carbonic acid;2-ethoxypropane-1,3-diol
CID 175422223
(2R)-2,3-diethoxypropan-1-ol
CID 129362297
dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane
CID 159144629
2,3-diethoxybutane;ethane-1,2-diol
CID 158153184
4-ethoxyoctan-1-ol
CID 21254369
5-ethoxyheptan-1-ol
CID 15053038
3-amino-3-ethoxypropan-1-ol
CID 88521290
2-(3-hydroxypropoxy)pentan-1-ol
CID 150485791
2-[2-(1-hydroxydecan-2-yloxy)ethoxy]decan-1-ol
CID 10022312
2-propoxypentan-1-ol
CID 140655109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxybutane-1,4-diol?
The IUPAC name of (2S)-2-ethoxybutane-1,4-diol (CID 89342985) is (2S)-2-ethoxybutane-1,4-diol.
What is the SMILES notation for (2S)-2-ethoxybutane-1,4-diol?
The canonical SMILES for (2S)-2-ethoxybutane-1,4-diol is CCO[C@H](CO)CCO.
What is the InChIKey of (2S)-2-ethoxybutane-1,4-diol?
The InChIKey is IRZLMNRFLJUTJZ-LURJTMIESA-N. The full InChI is InChI=1S/C6H14O3/c1-2-9-6(5-8)3-4-7/h6-8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-ethoxybutane-1,4-diol?
(2S)-2-ethoxybutane-1,4-diol has a molecular weight of 134.18 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxybutane-1,4-diol is sourced from PubChem (CID 89342985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).