(1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol

C9H18O4 — CID 10845356

IUPAC(1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol
SMILESC[C@]1(O)C[C@@H](O)[C@H](CCO)[C@@H]1CO
InChIInChI=1S/C9H18O4/c1-9(13)4-8(12)6(2-3-10)7(9)5-11/h6-8,10-13H,2-5H2,1H3/t6-,7+,8-,9+/m1/s1
InChIKeyWNPIRCJYDBADBI-XAVMHZPKSA-N
MW190.24 g/mol
LogP-0.89
Rot. Bonds3

About (1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol

(1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol (PubChem CID 10845356) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol.

Molecular Properties

Compound Name(1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol
PubChem CID10845356
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol
SMILESC[C@]1(O)C[C@@H](O)[C@H](CCO)[C@@H]1CO
InChIInChI=1S/C9H18O4/c1-9(13)4-8(12)6(2-3-10)7(9)5-11/h6-8,10-13H,2-5H2,1H3/t6-,7+,8-,9+/m1/s1
InChIKeyWNPIRCJYDBADBI-XAVMHZPKSA-N
XLogP-0.89
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol?
The IUPAC name of (1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol (CID 10845356) is (1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol.
What is the SMILES notation for (1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol?
The canonical SMILES for (1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol is C[C@]1(O)C[C@@H](O)[C@H](CCO)[C@@H]1CO.
What is the InChIKey of (1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol?
The InChIKey is WNPIRCJYDBADBI-XAVMHZPKSA-N. The full InChI is InChI=1S/C9H18O4/c1-9(13)4-8(12)6(2-3-10)7(9)5-11/h6-8,10-13H,2-5H2,1H3/t6-,7+,8-,9+/m1/s1.
What are the key properties of (1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol?
(1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol has a molecular weight of 190.24 g/mol, XLogP of -0.89, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol is sourced from PubChem (CID 10845356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).