3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane

C21H40O5 — CID 58963674

IUPAC3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane
SMILESCCC1(COCCCOCCCOCCCOC2CCCCC2)COC1
InChIInChI=1S/C21H40O5/c1-2-21(18-25-19-21)17-24-15-7-13-22-11-6-12-23-14-8-16-26-20-9-4-3-5-10-20/h20H,2-19H2,1H3
InChIKeyFBHYFUDPKAHUDW-UHFFFAOYSA-N
MW372.55 g/mol
LogP3.98
Rot. Bonds16

About 3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane

3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane (PubChem CID 58963674) has the molecular formula C21H40O5 and a molecular weight of 372.55 g/mol. Its IUPAC name is 3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane
PubChem CID58963674
Molecular FormulaC21H40O5
Molecular Weight372.55 g/mol
Exact Mass372.29
IUPAC Name3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane
SMILESCCC1(COCCCOCCCOCCCOC2CCCCC2)COC1
InChIInChI=1S/C21H40O5/c1-2-21(18-25-19-21)17-24-15-7-13-22-11-6-12-23-14-8-16-26-20-9-4-3-5-10-20/h20H,2-19H2,1H3
InChIKeyFBHYFUDPKAHUDW-UHFFFAOYSA-N
XLogP3.98
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexyloxymethoxymethyl)-3-ethyloxetane
CID 150843093
3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane
CID 157403854
3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
CID 161051852
3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane
CID 58090262
3-[(3-ethyloxetan-3-yl)methoxy]propyl-hydroxy-dimethylsilane
CID 59434230
3,3-bis(octoxymethyl)oxetane
CID 58963686
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
3-methoxypropoxycyclooctane
CID 68608033
ethyl-[3-[(3-ethyloxetan-3-yl)methoxy]propyl]-dimethoxysilane
CID 141043104
3-ethyl-3-[1-[(3-ethyloxetan-3-yl)methoxy]heptan-4-yloxymethyl]oxetane
CID 175533213

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane?
The IUPAC name of 3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane (CID 58963674) is 3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane.
What is the SMILES notation for 3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane?
The canonical SMILES for 3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane is CCC1(COCCCOCCCOCCCOC2CCCCC2)COC1.
What is the InChIKey of 3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane?
The InChIKey is FBHYFUDPKAHUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O5/c1-2-21(18-25-19-21)17-24-15-7-13-22-11-6-12-23-14-8-16-26-20-9-4-3-5-10-20/h20H,2-19H2,1H3.
What are the key properties of 3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane?
3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane has a molecular weight of 372.55 g/mol, XLogP of 3.98, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(3-cyclohexyloxypropoxy)propoxy]propoxymethyl]-3-ethyloxetane is sourced from PubChem (CID 58963674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).