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

C7H14O3 — CID 58680073

IUPAC(1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol
SMILESC[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14O3/c1-4-2-5(3-8)7(10)6(4)9/h4-10H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1
InChIKeyYBRBNUCFBZGBMG-MVIOUDGNSA-N
MW146.19 g/mol
LogP-0.64
Rot. Bonds1

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

(1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol (PubChem CID 58680073) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol
PubChem CID58680073
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol
SMILESC[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14O3/c1-4-2-5(3-8)7(10)6(4)9/h4-10H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1
InChIKeyYBRBNUCFBZGBMG-MVIOUDGNSA-N
XLogP-0.64
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol (CID 58680073) is (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol is C[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol?
The InChIKey is YBRBNUCFBZGBMG-MVIOUDGNSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-2-5(3-8)7(10)6(4)9/h4-10H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1.
What are the key properties of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol?
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol has a molecular weight of 146.19 g/mol, XLogP of -0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol is sourced from PubChem (CID 58680073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).