2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol

C15H28O4 — CID 139590990

IUPAC2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol
SMILESC[C@H]1[C@H]([C@@]2(C)CC[C@@H](C(C)(O)CO)O2)CC[C@@]1(C)O
InChIInChI=1S/C15H28O4/c1-10-11(5-7-13(10,2)17)15(4)8-6-12(19-15)14(3,18)9-16/h10-12,16-18H,5-9H2,1-4H3/t10-,11+,12-,13+,14?,15+/m0/s1
InChIKeyBAVIKCCFWXFUME-AQSJMSBDSA-N
MW272.38 g/mol
LogP1.46
Rot. Bonds3

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

2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol (PubChem CID 139590990) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol
PubChem CID139590990
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol
SMILESC[C@H]1[C@H]([C@@]2(C)CC[C@@H](C(C)(O)CO)O2)CC[C@@]1(C)O
InChIInChI=1S/C15H28O4/c1-10-11(5-7-13(10,2)17)15(4)8-6-12(19-15)14(3,18)9-16/h10-12,16-18H,5-9H2,1-4H3/t10-,11+,12-,13+,14?,15+/m0/s1
InChIKeyBAVIKCCFWXFUME-AQSJMSBDSA-N
XLogP1.46
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol?
The IUPAC name of 2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol (CID 139590990) is 2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol.
What is the SMILES notation for 2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol?
The canonical SMILES for 2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol is C[C@H]1[C@H]([C@@]2(C)CC[C@@H](C(C)(O)CO)O2)CC[C@@]1(C)O.
What is the InChIKey of 2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol?
The InChIKey is BAVIKCCFWXFUME-AQSJMSBDSA-N. The full InChI is InChI=1S/C15H28O4/c1-10-11(5-7-13(10,2)17)15(4)8-6-12(19-15)14(3,18)9-16/h10-12,16-18H,5-9H2,1-4H3/t10-,11+,12-,13+,14?,15+/m0/s1.
What are the key properties of 2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol?
2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol has a molecular weight of 272.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-5-methyloxolan-2-yl]propane-1,2-diol is sourced from PubChem (CID 139590990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).