3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane

C57H94O12 — CID 159566916

IUPAC3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane
SMILESCCC1(COCCOCC2(CC)COC2)COC1.CCC1(COCc2ccc(COCC3(CC)COC3)cc2)COC1.CCC1(COCc2ccccc2)COC1.CCCCOCC1(CC)COC1
InChIInChI=1S/C20H30O4.C14H26O4.C13H18O2.C10H20O2/c1-3-19(13-23-14-19)11-21-9-17-5-7-18(8-6-17)10-22-12-20(4-2)15-24-16-20;1-3-13(9-17-10-13)7-15-5-6-16-8-14(4-2)11-18-12-14;1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12;1-3-5-6-11-7-10(4-2)8-12-9-10/h5-8H,3-4,9-16H2,1-2H3;3-12H2,1-2H3;3-7H,2,8-11H2,1H3;3-9H2,1-2H3
InChIKeyMHHWSYCZCRSYBS-UHFFFAOYSA-N
MW971.37 g/mol
LogP10.31
Rot. Bonds30

About 3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane

3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane (PubChem CID 159566916) has the molecular formula C57H94O12 and a molecular weight of 971.37 g/mol. Its IUPAC name is 3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane.

Molecular Properties

Compound Name3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane
PubChem CID159566916
Molecular FormulaC57H94O12
Molecular Weight971.37 g/mol
Exact Mass970.67
IUPAC Name3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane
SMILESCCC1(COCCOCC2(CC)COC2)COC1.CCC1(COCc2ccc(COCC3(CC)COC3)cc2)COC1.CCC1(COCc2ccccc2)COC1.CCCCOCC1(CC)COC1
InChIInChI=1S/C20H30O4.C14H26O4.C13H18O2.C10H20O2/c1-3-19(13-23-14-19)11-21-9-17-5-7-18(8-6-17)10-22-12-20(4-2)15-24-16-20;1-3-13(9-17-10-13)7-15-5-6-16-8-14(4-2)11-18-12-14;1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12;1-3-5-6-11-7-10(4-2)8-12-9-10/h5-8H,3-4,9-16H2,1-2H3;3-12H2,1-2H3;3-7H,2,8-11H2,1H3;3-9H2,1-2H3
InChIKeyMHHWSYCZCRSYBS-UHFFFAOYSA-N
XLogP10.31
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500971.37
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane with MolForge

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Related Compounds

3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
4-N,4-N-bis[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59372141
3-ethyl-3-[5-[[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane
CID 137418163
3-ethyl-3-[5-[[4-[4-[10-[4-[4-[4-[10-[4-[5-[(3-ethyloxetan-3-yl)methoxy]pentoxymethyl]phenyl]anthracen-9-yl]naphthalen-1-yl]phenoxy]phenyl]anthracen-9-yl]naphthalen-1-yl]phenyl]methoxy]pentoxymethyl]oxetane
CID 137418050
5-(hexadecoxymethyl)-5-[(4-methoxyphenyl)methoxymethyl]-2-phenyl-1,3-dioxane
CID 101060339
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
butoxymethylbenzene;ethane
CID 145341806
3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane
CID 143199326
4-[8-[(3-ethyloxetan-3-yl)methoxy]octyl]-N-[4-[4-(N-[4-[8-[(3-ethyloxetan-3-yl)methoxy]octyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 135194461
3-ethyl-3-[(2-propylphenyl)methoxymethyl]oxetane
CID 174397153
lithium;butoxymethylbenzene;hydride
CID 175482454

Frequently Asked Questions

What is the IUPAC name of 3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane?
The IUPAC name of 3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane (CID 159566916) is 3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane.
What is the SMILES notation for 3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane?
The canonical SMILES for 3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane is CCC1(COCCOCC2(CC)COC2)COC1.CCC1(COCc2ccc(COCC3(CC)COC3)cc2)COC1.CCC1(COCc2ccccc2)COC1.CCCCOCC1(CC)COC1.
What is the InChIKey of 3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane?
The InChIKey is MHHWSYCZCRSYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4.C14H26O4.C13H18O2.C10H20O2/c1-3-19(13-23-14-19)11-21-9-17-5-7-18(8-6-17)10-22-12-20(4-2)15-24-16-20;1-3-13(9-17-10-13)7-15-5-6-16-8-14(4-2)11-18-12-14;1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12;1-3-5-6-11-7-10(4-2)8-12-9-10/h5-8H,3-4,9-16H2,1-2H3;3-12H2,1-2H3;3-7H,2,8-11H2,1H3;3-9H2,1-2H3.
What are the key properties of 3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane?
3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane has a molecular weight of 971.37 g/mol, XLogP of 10.31, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane is sourced from PubChem (CID 159566916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).