2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol

C9H18O4 — CID 155269084

IUPAC2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol
SMILESOCCO[C@H]1CCC[C@H]1OCCO
InChIInChI=1S/C9H18O4/c10-4-6-12-8-2-1-3-9(8)13-7-5-11/h8-11H,1-7H2/t8-,9+
InChIKeyXBHVALDFYMKJPO-DTORHVGOSA-N
MW190.24 g/mol
LogP-0.07
Rot. Bonds6

About 2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol

2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol (PubChem CID 155269084) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol.

Molecular Properties

Compound Name2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol
PubChem CID155269084
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol
SMILESOCCO[C@H]1CCC[C@H]1OCCO
InChIInChI=1S/C9H18O4/c10-4-6-12-8-2-1-3-9(8)13-7-5-11/h8-11H,1-7H2/t8-,9+
InChIKeyXBHVALDFYMKJPO-DTORHVGOSA-N
XLogP-0.07
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol
CID 12753759
2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy)ethanol
CID 90023539
2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol
CID 155305830
2-(2-methylcyclopropyl)oxyethanol
CID 130122746
2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol
CID 58242222
2-[[23,32-bis(2-hydroxyethoxy)-14-propoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl]oxy]ethanol
CID 91252131
2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol
CID 151509941
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]ethanol
CID 101160976
2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol
CID 106938416
2-cyclopentyloxyethanol;ethane;methanamine
CID 144529135
2-[(3Z)-cyclooct-3-en-1-yl]oxyethanol
CID 169491130
3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 66733631

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol?
The IUPAC name of 2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol (CID 155269084) is 2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol.
What is the SMILES notation for 2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol?
The canonical SMILES for 2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol is OCCO[C@H]1CCC[C@H]1OCCO.
What is the InChIKey of 2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol?
The InChIKey is XBHVALDFYMKJPO-DTORHVGOSA-N. The full InChI is InChI=1S/C9H18O4/c10-4-6-12-8-2-1-3-9(8)13-7-5-11/h8-11H,1-7H2/t8-,9+.
What are the key properties of 2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol?
2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol has a molecular weight of 190.24 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol is sourced from PubChem (CID 155269084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).