2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol

C10H21NO3 — CID 70418187

IUPAC2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol
SMILESCC(OCCO)OC(C)N1CCCC1
InChIInChI=1S/C10H21NO3/c1-9(11-5-3-4-6-11)14-10(2)13-8-7-12/h9-10,12H,3-8H2,1-2H3
InChIKeyLCLIGAGTNJBGIG-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.80
Rot. Bonds6

About 2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol

2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol (PubChem CID 70418187) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol
PubChem CID70418187
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol
SMILESCC(OCCO)OC(C)N1CCCC1
InChIInChI=1S/C10H21NO3/c1-9(11-5-3-4-6-11)14-10(2)13-8-7-12/h9-10,12H,3-8H2,1-2H3
InChIKeyLCLIGAGTNJBGIG-UHFFFAOYSA-N
XLogP0.80
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1-ethoxyethoxy)ethyl]pyrrolidine
CID 68592080
1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine
CID 68590566
1-[1-(1-piperidin-1-ylethoxy)ethyl]piperidine
CID 19822700
1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine
CID 68587907
2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol
CID 88699354
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine
CID 146213476
1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 88836722
1-[2-[1-[2-(azepan-1-yl)ethoxy]ethoxy]ethyl]azepane
CID 57016594
methanol;2-pyrrolidin-1-ylpropan-1-ol
CID 172620475
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
CID 110024044

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol?
The IUPAC name of 2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol (CID 70418187) is 2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol is CC(OCCO)OC(C)N1CCCC1.
What is the InChIKey of 2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol?
The InChIKey is LCLIGAGTNJBGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(11-5-3-4-6-11)14-10(2)13-8-7-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol?
2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol has a molecular weight of 203.28 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol is sourced from PubChem (CID 70418187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).