4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol

C20H40O6 — CID 161051852

IUPAC4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
SMILESCCC1(COCCCCO)COC1.CCC1(COCCCCO)COC1
InChIInChI=1S/2C10H20O3/c2*1-2-10(8-13-9-10)7-12-6-4-3-5-11/h2*11H,2-9H2,1H3
InChIKeyUCFWSDLJZHQQMY-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.40
Rot. Bonds14

About 4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol

4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol (PubChem CID 161051852) has the molecular formula C20H40O6 and a molecular weight of 376.53 g/mol. Its IUPAC name is 4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol.

Molecular Properties

Compound Name4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
PubChem CID161051852
Molecular FormulaC20H40O6
Molecular Weight376.53 g/mol
Exact Mass376.28
IUPAC Name4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
SMILESCCC1(COCCCCO)COC1.CCC1(COCCCCO)COC1
InChIInChI=1S/2C10H20O3/c2*1-2-10(8-13-9-10)7-12-6-4-3-5-11/h2*11H,2-9H2,1H3
InChIKeyUCFWSDLJZHQQMY-UHFFFAOYSA-N
XLogP2.40
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol?
The IUPAC name of 4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol (CID 161051852) is 4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol.
What is the SMILES notation for 4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol?
The canonical SMILES for 4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol is CCC1(COCCCCO)COC1.CCC1(COCCCCO)COC1.
What is the InChIKey of 4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol?
The InChIKey is UCFWSDLJZHQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20O3/c2*1-2-10(8-13-9-10)7-12-6-4-3-5-11/h2*11H,2-9H2,1H3.
What are the key properties of 4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol?
4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol has a molecular weight of 376.53 g/mol, XLogP of 2.40, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol is sourced from PubChem (CID 161051852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).