(2S,3S)-2,3-dimethoxybutan-1-ol

C6H14O3 — CID 130624159

IUPAC(2S,3S)-2,3-dimethoxybutan-1-ol
SMILESCO[C@@H](C)[C@H](CO)OC
InChIInChI=1S/C6H14O3/c1-5(8-2)6(4-7)9-3/h5-7H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyJFCIOMTUSXLLMJ-WDSKDSINSA-N
MW134.18 g/mol
LogP0.03
Rot. Bonds4

About (2S,3S)-2,3-dimethoxybutan-1-ol

(2S,3S)-2,3-dimethoxybutan-1-ol (PubChem CID 130624159) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethoxybutan-1-ol.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethoxybutan-1-ol
PubChem CID130624159
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name(2S,3S)-2,3-dimethoxybutan-1-ol
SMILESCO[C@@H](C)[C@H](CO)OC
InChIInChI=1S/C6H14O3/c1-5(8-2)6(4-7)9-3/h5-7H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyJFCIOMTUSXLLMJ-WDSKDSINSA-N
XLogP0.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2,3-dimethoxybutane-1,4-diol
CID 119097957
2,3,4-trimethoxyhexane-1,5-diol
CID 71440340
(2R,3R)-4-methoxypentane-1,2,3,5-tetrol
CID 89370053
(2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol
CID 134878459
(4-hydroxy-2,3-dimethoxybutyl)-iodomercury
CID 6102046
4-methoxyhexane-1,2,5-triol
CID 18427201
(2R,3R,5S)-3,5-dimethoxy-2-methylhexane-1,6-diol
CID 10559649
(2S,3R,5S)-3,5-dimethoxy-2-methylhexane-1,6-diol
CID 10845422
3-amino-5-methoxyhexane-1,4-diol
CID 142060035
methoxymethane;propane-1,2-diol
CID 23435252
(4S)-4-methoxy-5-methylhexan-1-ol
CID 131848315
5-hydroxy-2,3,4-trimethoxypentanal
CID 14194048

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethoxybutan-1-ol?
The IUPAC name of (2S,3S)-2,3-dimethoxybutan-1-ol (CID 130624159) is (2S,3S)-2,3-dimethoxybutan-1-ol.
What is the SMILES notation for (2S,3S)-2,3-dimethoxybutan-1-ol?
The canonical SMILES for (2S,3S)-2,3-dimethoxybutan-1-ol is CO[C@@H](C)[C@H](CO)OC.
What is the InChIKey of (2S,3S)-2,3-dimethoxybutan-1-ol?
The InChIKey is JFCIOMTUSXLLMJ-WDSKDSINSA-N. The full InChI is InChI=1S/C6H14O3/c1-5(8-2)6(4-7)9-3/h5-7H,4H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethoxybutan-1-ol?
(2S,3S)-2,3-dimethoxybutan-1-ol has a molecular weight of 134.18 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethoxybutan-1-ol is sourced from PubChem (CID 130624159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).