4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol

C10H21NO3 — CID 106447721

IUPAC4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol
SMILESCC(C)COCCOC1CNCC1O
InChIInChI=1S/C10H21NO3/c1-8(2)7-13-3-4-14-10-6-11-5-9(10)12/h8-12H,3-7H2,1-2H3
InChIKeyXQQXYOLGXPZXRN-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.01
Rot. Bonds6

About 4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol

4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol (PubChem CID 106447721) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol
PubChem CID106447721
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol
SMILESCC(C)COCCOC1CNCC1O
InChIInChI=1S/C10H21NO3/c1-8(2)7-13-3-4-14-10-6-11-5-9(10)12/h8-12H,3-7H2,1-2H3
InChIKeyXQQXYOLGXPZXRN-UHFFFAOYSA-N
XLogP0.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-4-pentoxypyrrolidin-3-ol
CID 70454263
4-(3-methoxypropoxy)pyrrolidin-3-ol
CID 63703164
4-hexoxypyrrolidin-3-ol
CID 63701868
(3R,4R)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293919
5-[2-(2-methylpropoxy)ethoxy]piperidine-3-carboxylic acid
CID 106453624
2-(2-methoxyethoxy)-3-[2-(2-methylpropoxy)ethoxy]cyclobutan-1-amine
CID 114032306
N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106447263
2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 106447311
2-[2-(2-methylpropoxy)ethyl]cyclohexan-1-ol
CID 106455939
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 106448237
3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448661

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol?
The IUPAC name of 4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol (CID 106447721) is 4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol.
What is the SMILES notation for 4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol?
The canonical SMILES for 4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol is CC(C)COCCOC1CNCC1O.
What is the InChIKey of 4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol?
The InChIKey is XQQXYOLGXPZXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(2)7-13-3-4-14-10-6-11-5-9(10)12/h8-12H,3-7H2,1-2H3.
What are the key properties of 4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol?
4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol has a molecular weight of 203.28 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropoxy)ethoxy]pyrrolidin-3-ol is sourced from PubChem (CID 106447721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).