3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane

C38H48O6 — CID 59386218

IUPAC3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane
SMILESCCC1(COc2ccc(C(C)(c3ccc(OCC4(CC)COC4)cc3)c3ccc(OCC4(CC)COC4)cc3)cc2)COC1
InChIInChI=1S/C38H48O6/c1-5-36(20-39-21-36)26-42-32-14-8-29(9-15-32)35(4,30-10-16-33(17-11-30)43-27-37(6-2)22-40-23-37)31-12-18-34(19-13-31)44-28-38(7-3)24-41-25-38/h8-19H,5-7,20-28H2,1-4H3
InChIKeyLADFLNYOPUYBCT-UHFFFAOYSA-N
MW600.80 g/mol
LogP7.46
Rot. Bonds15

About 3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane

3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane (PubChem CID 59386218) has the molecular formula C38H48O6 and a molecular weight of 600.80 g/mol. Its IUPAC name is 3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane
PubChem CID59386218
Molecular FormulaC38H48O6
Molecular Weight600.80 g/mol
Exact Mass600.35
IUPAC Name3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane
SMILESCCC1(COc2ccc(C(C)(c3ccc(OCC4(CC)COC4)cc3)c3ccc(OCC4(CC)COC4)cc3)cc2)COC1
InChIInChI=1S/C38H48O6/c1-5-36(20-39-21-36)26-42-32-14-8-29(9-15-32)35(4,30-10-16-33(17-11-30)43-27-37(6-2)22-40-23-37)31-12-18-34(19-13-31)44-28-38(7-3)24-41-25-38/h8-19H,5-7,20-28H2,1-4H3
InChIKeyLADFLNYOPUYBCT-UHFFFAOYSA-N
XLogP7.46
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.80
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane with MolForge

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Related Compounds

Bisphenol A diglycidyl ether
CID 2286
Etofenprox
CID 71245
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
Halfenprox
CID 10140464
Bisphenol A bis(2-hydroxyethyl)ether
CID 61909
2,2',2''-(Methanetriyltris(benzene-4,1-diyloxymethanediyl))trioxirane
CID 4320947
1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012
2,2-Bis(4-(2,3-dihydroxypropoxy)phenyl)propane
CID 110678
Oxirane, 2-((4-(1-methyl-1-phenylethyl)phenoxy)methyl)-
CID 62186
Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, 2,13(or 2,14)-bis(1,1-dimethylethyl)-6,7,9,10,17,18,20,21-octahydro-
CID 169043
Bisphenol A bis(3-methacryloyloxypropyl) ether
CID 94384
((3-(sec-Butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
CID 129318102

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane?
The IUPAC name of 3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane (CID 59386218) is 3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane.
What is the SMILES notation for 3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane?
The canonical SMILES for 3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane is CCC1(COc2ccc(C(C)(c3ccc(OCC4(CC)COC4)cc3)c3ccc(OCC4(CC)COC4)cc3)cc2)COC1.
What is the InChIKey of 3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane?
The InChIKey is LADFLNYOPUYBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48O6/c1-5-36(20-39-21-36)26-42-32-14-8-29(9-15-32)35(4,30-10-16-33(17-11-30)43-27-37(6-2)22-40-23-37)31-12-18-34(19-13-31)44-28-38(7-3)24-41-25-38/h8-19H,5-7,20-28H2,1-4H3.
What are the key properties of 3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane?
3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane has a molecular weight of 600.80 g/mol, XLogP of 7.46, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane is sourced from PubChem (CID 59386218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).