3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane

C29H52O8 — CID 22340176

IUPAC3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane
SMILESCCC1(COCC(COCC2(CC)COC2)(COCC2(CC)COC2)COCC2(CC)COC2)COC1
InChIInChI=1S/C29H52O8/c1-5-25(9-30-10-25)17-34-21-29(22-35-18-26(6-2)11-31-12-26,23-36-19-27(7-3)13-32-14-27)24-37-20-28(8-4)15-33-16-28/h5-24H2,1-4H3
InChIKeyHPINXYMPRYQBGF-UHFFFAOYSA-N
MW528.73 g/mol
LogP3.75
Rot. Bonds20

About 3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane

3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane (PubChem CID 22340176) has the molecular formula C29H52O8 and a molecular weight of 528.73 g/mol. Its IUPAC name is 3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane
PubChem CID22340176
Molecular FormulaC29H52O8
Molecular Weight528.73 g/mol
Exact Mass528.37
IUPAC Name3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane
SMILESCCC1(COCC(COCC2(CC)COC2)(COCC2(CC)COC2)COCC2(CC)COC2)COC1
InChIInChI=1S/C29H52O8/c1-5-25(9-30-10-25)17-34-21-29(22-35-18-26(6-2)11-31-12-26,23-36-19-27(7-3)13-32-14-27)24-37-20-28(8-4)15-33-16-28/h5-24H2,1-4H3
InChIKeyHPINXYMPRYQBGF-UHFFFAOYSA-N
XLogP3.75
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.73
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane?
The IUPAC name of 3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane (CID 22340176) is 3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane is CCC1(COCC(COCC2(CC)COC2)(COCC2(CC)COC2)COCC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane?
The InChIKey is HPINXYMPRYQBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52O8/c1-5-25(9-30-10-25)17-34-21-29(22-35-18-26(6-2)11-31-12-26,23-36-19-27(7-3)13-32-14-27)24-37-20-28(8-4)15-33-16-28/h5-24H2,1-4H3.
What are the key properties of 3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane?
3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane has a molecular weight of 528.73 g/mol, XLogP of 3.75, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[3-[(3-ethyloxetan-3-yl)methoxy]-2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]propoxy]methyl]oxetane is sourced from PubChem (CID 22340176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).