3-methoxy-6-propan-2-yloxane-2,4,5-triol

C9H18O5 — CID 170198927

IUPAC3-methoxy-6-propan-2-yloxane-2,4,5-triol
SMILESCOC1C(O)OC(C(C)C)C(O)C1O
InChIInChI=1S/C9H18O5/c1-4(2)7-5(10)6(11)8(13-3)9(12)14-7/h4-12H,1-3H3
InChIKeyMTXKXYWQRWUXTC-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.90
Rot. Bonds2

About 3-methoxy-6-propan-2-yloxane-2,4,5-triol

3-methoxy-6-propan-2-yloxane-2,4,5-triol (PubChem CID 170198927) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-methoxy-6-propan-2-yloxane-2,4,5-triol.

Molecular Properties

Compound Name3-methoxy-6-propan-2-yloxane-2,4,5-triol
PubChem CID170198927
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3-methoxy-6-propan-2-yloxane-2,4,5-triol
SMILESCOC1C(O)OC(C(C)C)C(O)C1O
InChIInChI=1S/C9H18O5/c1-4(2)7-5(10)6(11)8(13-3)9(12)14-7/h4-12H,1-3H3
InChIKeyMTXKXYWQRWUXTC-UHFFFAOYSA-N
XLogP-0.90
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol
CID 70847183
(2S,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-methoxyoxolane-2,4-diol
CID 102594810
(2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol
CID 69029255
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol
CID 58590815
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-methoxyoxolane-2,3-diol
CID 102594814
(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-methoxyoxolane-2,3-diol
CID 100962082
3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
CID 6421426
(2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol
CID 130359987
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 170573273
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
CID 130928120

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-propan-2-yloxane-2,4,5-triol?
The IUPAC name of 3-methoxy-6-propan-2-yloxane-2,4,5-triol (CID 170198927) is 3-methoxy-6-propan-2-yloxane-2,4,5-triol.
What is the SMILES notation for 3-methoxy-6-propan-2-yloxane-2,4,5-triol?
The canonical SMILES for 3-methoxy-6-propan-2-yloxane-2,4,5-triol is COC1C(O)OC(C(C)C)C(O)C1O.
What is the InChIKey of 3-methoxy-6-propan-2-yloxane-2,4,5-triol?
The InChIKey is MTXKXYWQRWUXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-4(2)7-5(10)6(11)8(13-3)9(12)14-7/h4-12H,1-3H3.
What are the key properties of 3-methoxy-6-propan-2-yloxane-2,4,5-triol?
3-methoxy-6-propan-2-yloxane-2,4,5-triol has a molecular weight of 206.24 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-propan-2-yloxane-2,4,5-triol is sourced from PubChem (CID 170198927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).