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

C14H29NO5 — CID 104562089

IUPAC4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol
SMILESCCCCOCCOCCOCCOC1CNCC1O
InChIInChI=1S/C14H29NO5/c1-2-3-4-17-5-6-18-7-8-19-9-10-20-14-12-15-11-13(14)16/h13-16H,2-12H2,1H3
InChIKeyVAXLOMRMMYFVKC-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.19
Rot. Bonds13

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

4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol (PubChem CID 104562089) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol
PubChem CID104562089
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol
SMILESCCCCOCCOCCOCCOC1CNCC1O
InChIInChI=1S/C14H29NO5/c1-2-3-4-17-5-6-18-7-8-19-9-10-20-14-12-15-11-13(14)16/h13-16H,2-12H2,1H3
InChIKeyVAXLOMRMMYFVKC-UHFFFAOYSA-N
XLogP0.19
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

rac-(3R,4R)-4-methoxypyrrolidin-3-ol
CID 9942137
trans-4-Methoxy-3-pyrrolidinol
CID 9877358
4-Methoxypyrrolidin-3-ol
CID 22603654
2-(Pyrrolidin-3-yloxy)ethan-1-ol hydrochloride
CID 138991547
2-(Pyrrolidin-3-yloxy)ethan-1-ol
CID 67294250
1-Butylamino-3-(2,3-dihydroxypropoxy)-2-propanol
CID 15323038
(9s,10s)-1,4-Dioxa-7,12-diazacyclotetradecane-9,10-diol
CID 129741004
4-(1,1,1-Trifluoropropan-2-yloxy)pyrrolidin-3-ol
CID 66275466
4-(4,4,4-Trifluorobutoxy)pyrrolidin-3-ol
CID 82788429
1-Fluoro-3-(pyrrolidin-3-yloxy)propan-2-ol
CID 131219865
(3R,4R)-4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol
CID 133615150
1-fluoro-3-[(3S)-pyrrolidin-3-yloxy]propan-2-ol
CID 165598152

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol?
The IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol (CID 104562089) is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol.
What is the SMILES notation for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol?
The canonical SMILES for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol is CCCCOCCOCCOCCOC1CNCC1O.
What is the InChIKey of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol?
The InChIKey is VAXLOMRMMYFVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-2-3-4-17-5-6-18-7-8-19-9-10-20-14-12-15-11-13(14)16/h13-16H,2-12H2,1H3.
What are the key properties of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol?
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol has a molecular weight of 291.39 g/mol, XLogP of 0.19, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]pyrrolidin-3-ol is sourced from PubChem (CID 104562089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).