(2S,4S)-2,3,4-trimethoxypentane-1,5-diol

C8H18O5 — CID 91281717

IUPAC(2S,4S)-2,3,4-trimethoxypentane-1,5-diol
SMILESCOC([C@H](CO)OC)[C@H](CO)OC
InChIInChI=1S/C8H18O5/c1-11-6(4-9)8(13-3)7(5-10)12-2/h6-10H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyUKEFEULBEWFWLP-BQBZGAKWSA-N
MW194.23 g/mol
LogP-0.98
Rot. Bonds7

About (2S,4S)-2,3,4-trimethoxypentane-1,5-diol

(2S,4S)-2,3,4-trimethoxypentane-1,5-diol (PubChem CID 91281717) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S,4S)-2,3,4-trimethoxypentane-1,5-diol.

Molecular Properties

Compound Name(2S,4S)-2,3,4-trimethoxypentane-1,5-diol
PubChem CID91281717
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name(2S,4S)-2,3,4-trimethoxypentane-1,5-diol
SMILESCOC([C@H](CO)OC)[C@H](CO)OC
InChIInChI=1S/C8H18O5/c1-11-6(4-9)8(13-3)7(5-10)12-2/h6-10H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyUKEFEULBEWFWLP-BQBZGAKWSA-N
XLogP-0.98
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,3,4-trimethoxypentane-1,5-diol?
The IUPAC name of (2S,4S)-2,3,4-trimethoxypentane-1,5-diol (CID 91281717) is (2S,4S)-2,3,4-trimethoxypentane-1,5-diol.
What is the SMILES notation for (2S,4S)-2,3,4-trimethoxypentane-1,5-diol?
The canonical SMILES for (2S,4S)-2,3,4-trimethoxypentane-1,5-diol is COC([C@H](CO)OC)[C@H](CO)OC.
What is the InChIKey of (2S,4S)-2,3,4-trimethoxypentane-1,5-diol?
The InChIKey is UKEFEULBEWFWLP-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H18O5/c1-11-6(4-9)8(13-3)7(5-10)12-2/h6-10H,4-5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-2,3,4-trimethoxypentane-1,5-diol?
(2S,4S)-2,3,4-trimethoxypentane-1,5-diol has a molecular weight of 194.23 g/mol, XLogP of -0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,3,4-trimethoxypentane-1,5-diol is sourced from PubChem (CID 91281717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).