(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol

C36H73NO6 — CID 161446886

IUPAC(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol
SMILESCC(C)(C)OC[C@@H](O)CC1CCCC1.CC(C)(C)OC[C@H](O)CC1CCCC1.CN1CCCC1CC(O)COC(C)(C)C
InChIInChI=1S/C12H25NO2.2C12H24O2/c1-12(2,3)15-9-11(14)8-10-6-5-7-13(10)4;2*1-12(2,3)14-9-11(13)8-10-6-4-5-7-10/h10-11,14H,5-9H2,1-4H3;2*10-11,13H,4-9H2,1-3H3/t;2*11-/m.10/s1
InChIKeyVZZZQOOGAMLSSV-ZWHQALNSSA-N
MW615.98 g/mol
LogP7.13
Rot. Bonds12

About (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol

(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol (PubChem CID 161446886) has the molecular formula C36H73NO6 and a molecular weight of 615.98 g/mol. Its IUPAC name is (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol
PubChem CID161446886
Molecular FormulaC36H73NO6
Molecular Weight615.98 g/mol
Exact Mass615.54
IUPAC Name(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol
SMILESCC(C)(C)OC[C@@H](O)CC1CCCC1.CC(C)(C)OC[C@H](O)CC1CCCC1.CN1CCCC1CC(O)COC(C)(C)C
InChIInChI=1S/C12H25NO2.2C12H24O2/c1-12(2,3)15-9-11(14)8-10-6-5-7-13(10)4;2*1-12(2,3)14-9-11(13)8-10-6-4-5-7-10/h10-11,14H,5-9H2,1-4H3;2*10-11,13H,4-9H2,1-3H3/t;2*11-/m.10/s1
InChIKeyVZZZQOOGAMLSSV-ZWHQALNSSA-N
XLogP7.13
TPSA91.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.98
LogP ≤ 57.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol with MolForge

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Related Compounds

ethane;(2S)-1-ethoxy-3-(1-methylpyrrolidin-2-yl)propan-2-ol;1-methoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 142317610
4-[(2-Cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79914721
4-[[2-(3-Hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79930021
2-[1-[3-(2-Methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 103416678
2-[1-[2-Hydroxy-3-(1-methoxypropan-2-yloxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 106993190
2-[1-[2-Hydroxy-3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 106993191
2-[1-(3-Butoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 107264493

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol?
The IUPAC name of (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol (CID 161446886) is (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol is CC(C)(C)OC[C@@H](O)CC1CCCC1.CC(C)(C)OC[C@H](O)CC1CCCC1.CN1CCCC1CC(O)COC(C)(C)C.
What is the InChIKey of (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol?
The InChIKey is VZZZQOOGAMLSSV-ZWHQALNSSA-N. The full InChI is InChI=1S/C12H25NO2.2C12H24O2/c1-12(2,3)15-9-11(14)8-10-6-5-7-13(10)4;2*1-12(2,3)14-9-11(13)8-10-6-4-5-7-10/h10-11,14H,5-9H2,1-4H3;2*10-11,13H,4-9H2,1-3H3/t;2*11-/m.10/s1.
What are the key properties of (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol?
(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol has a molecular weight of 615.98 g/mol, XLogP of 7.13, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;(2R)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol is sourced from PubChem (CID 161446886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).