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

C10H20O3 — CID 90368969

IUPAC(1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol
SMILESCOC(C)(C)[C@H]1C[C@@H](C)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H20O3/c1-6-5-7(9(12)8(6)11)10(2,3)13-4/h6-9,11-12H,5H2,1-4H3/t6-,7+,8+,9-/m1/s1
InChIKeyXLIQYHRKBDLHCO-RYPBNFRJSA-N
MW188.27 g/mol
LogP0.79
Rot. Bonds2

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

(1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol (PubChem CID 90368969) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol
PubChem CID90368969
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol
SMILESCOC(C)(C)[C@H]1C[C@@H](C)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H20O3/c1-6-5-7(9(12)8(6)11)10(2,3)13-4/h6-9,11-12H,5H2,1-4H3/t6-,7+,8+,9-/m1/s1
InChIKeyXLIQYHRKBDLHCO-RYPBNFRJSA-N
XLogP0.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol (CID 90368969) is (1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol is COC(C)(C)[C@H]1C[C@@H](C)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol?
The InChIKey is XLIQYHRKBDLHCO-RYPBNFRJSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-5-7(9(12)8(6)11)10(2,3)13-4/h6-9,11-12H,5H2,1-4H3/t6-,7+,8+,9-/m1/s1.
What are the key properties of (1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol?
(1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol has a molecular weight of 188.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol is sourced from PubChem (CID 90368969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).