(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol

C9H18O4 — CID 147741789

IUPAC(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol
SMILESCCC[C@H]1OC(C)[C@H](O)C(O)C1O
InChIInChI=1S/C9H18O4/c1-3-4-6-8(11)9(12)7(10)5(2)13-6/h5-12H,3-4H2,1-2H3/t5?,6-,7+,8?,9?/m1/s1
InChIKeyHALXFQVPQREDFB-MGPOHBFLSA-N
MW190.24 g/mol
LogP-0.34
Rot. Bonds2

About (3R,6R)-2-methyl-6-propyloxane-3,4,5-triol

(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol (PubChem CID 147741789) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3R,6R)-2-methyl-6-propyloxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol
PubChem CID147741789
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol
SMILESCCC[C@H]1OC(C)[C@H](O)C(O)C1O
InChIInChI=1S/C9H18O4/c1-3-4-6-8(11)9(12)7(10)5(2)13-6/h5-12H,3-4H2,1-2H3/t5?,6-,7+,8?,9?/m1/s1
InChIKeyHALXFQVPQREDFB-MGPOHBFLSA-N
XLogP-0.34
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59996451
(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182
(2S,3S)-2-methyl-3-propyloxirane
CID 22844896
(3S,4R,5S,6S)-2-(4-hydroxybutyl)-6-methyloxane-3,4,5-triol
CID 139571307
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(2S,3S,5R)-2-(2,2-dimethylpropyl)-5-methyloxolane-3,4-diol
CID 160706995
2-methyl-6-(sulfanylmethyl)oxane-3,4,5-triol
CID 59680726
actinium;(3R,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59934625

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-2-methyl-6-propyloxane-3,4,5-triol?
The IUPAC name of (3R,6R)-2-methyl-6-propyloxane-3,4,5-triol (CID 147741789) is (3R,6R)-2-methyl-6-propyloxane-3,4,5-triol.
What is the SMILES notation for (3R,6R)-2-methyl-6-propyloxane-3,4,5-triol?
The canonical SMILES for (3R,6R)-2-methyl-6-propyloxane-3,4,5-triol is CCC[C@H]1OC(C)[C@H](O)C(O)C1O.
What is the InChIKey of (3R,6R)-2-methyl-6-propyloxane-3,4,5-triol?
The InChIKey is HALXFQVPQREDFB-MGPOHBFLSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-4-6-8(11)9(12)7(10)5(2)13-6/h5-12H,3-4H2,1-2H3/t5?,6-,7+,8?,9?/m1/s1.
What are the key properties of (3R,6R)-2-methyl-6-propyloxane-3,4,5-triol?
(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol has a molecular weight of 190.24 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-2-methyl-6-propyloxane-3,4,5-triol is sourced from PubChem (CID 147741789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).