(1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol

C8H16O4 — CID 10103681

IUPAC(1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol
SMILESCC1CC[C@H]([C@H](O)[C@@H](O)CO)O1
InChIInChI=1S/C8H16O4/c1-5-2-3-7(12-5)8(11)6(10)4-9/h5-11H,2-4H2,1H3/t5?,6-,7+,8+/m0/s1
InChIKeyCWQCHAKHWFFBLA-UNYLCCJPSA-N
MW176.21 g/mol
LogP-0.73
Rot. Bonds3

About (1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol

(1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol (PubChem CID 10103681) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol
PubChem CID10103681
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol
SMILESCC1CC[C@H]([C@H](O)[C@@H](O)CO)O1
InChIInChI=1S/C8H16O4/c1-5-2-3-7(12-5)8(11)6(10)4-9/h5-11H,2-4H2,1H3/t5?,6-,7+,8+/m0/s1
InChIKeyCWQCHAKHWFFBLA-UNYLCCJPSA-N
XLogP-0.73
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-[(5S)-5-methyloxolan-2-yl]-trimethylsilylmethanol
CID 130918442
2-(ethylamino)-1-(5-methyloxolan-2-yl)propan-1-ol
CID 82837452
2-amino-4-methyl-1-(5-methyloxolan-2-yl)pentan-1-ol
CID 82837841
3-(5-methyloxolan-2-yl)butan-1-ol
CID 130144173
1-(5-methyloxolan-2-yl)butan-1-ol
CID 82837669
1-(5-methyloxolan-2-yl)pentan-1-ol
CID 82837329
1-(5-methyloxolan-2-yl)but-3-yn-1-ol
CID 82837668
2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol
CID 145143956
3-amino-2,2-dimethyl-1-(5-methyloxolan-2-yl)propan-1-ol
CID 82838794
(5-methyloxolan-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81330190
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol
CID 82835676

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol?
The IUPAC name of (1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol (CID 10103681) is (1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol.
What is the SMILES notation for (1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol?
The canonical SMILES for (1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol is CC1CC[C@H]([C@H](O)[C@@H](O)CO)O1.
What is the InChIKey of (1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol?
The InChIKey is CWQCHAKHWFFBLA-UNYLCCJPSA-N. The full InChI is InChI=1S/C8H16O4/c1-5-2-3-7(12-5)8(11)6(10)4-9/h5-11H,2-4H2,1H3/t5?,6-,7+,8+/m0/s1.
What are the key properties of (1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol?
(1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol has a molecular weight of 176.21 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(2R)-5-methyloxolan-2-yl]propane-1,2,3-triol is sourced from PubChem (CID 10103681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).