[(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol

C10H20O3 — CID 58400409

IUPAC[(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol
SMILESCOC[C@H]1[C@H](CO)[C@H](C)C[C@@H]1OC
InChIInChI=1S/C10H20O3/c1-7-4-10(13-3)9(6-12-2)8(7)5-11/h7-11H,4-6H2,1-3H3/t7-,8-,9+,10+/m1/s1
InChIKeyGWRAPAFEEQKMLA-IMSYWVGJSA-N
MW188.27 g/mol
LogP0.91
Rot. Bonds4

About [(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol

[(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol (PubChem CID 58400409) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is [(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol
PubChem CID58400409
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name[(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol
SMILESCOC[C@H]1[C@H](CO)[C@H](C)C[C@@H]1OC
InChIInChI=1S/C10H20O3/c1-7-4-10(13-3)9(6-12-2)8(7)5-11/h7-11H,4-6H2,1-3H3/t7-,8-,9+,10+/m1/s1
InChIKeyGWRAPAFEEQKMLA-IMSYWVGJSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol?
The IUPAC name of [(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol (CID 58400409) is [(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol.
What is the SMILES notation for [(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol?
The canonical SMILES for [(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol is COC[C@H]1[C@H](CO)[C@H](C)C[C@@H]1OC.
What is the InChIKey of [(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol?
The InChIKey is GWRAPAFEEQKMLA-IMSYWVGJSA-N. The full InChI is InChI=1S/C10H20O3/c1-7-4-10(13-3)9(6-12-2)8(7)5-11/h7-11H,4-6H2,1-3H3/t7-,8-,9+,10+/m1/s1.
What are the key properties of [(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol?
[(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol has a molecular weight of 188.27 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol is sourced from PubChem (CID 58400409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).