3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane

C22H34O4 — CID 143199326

IUPAC3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane
SMILESCCC1(COCc2ccc(COCC3(CC)CCOC3)cc2)CCOC1
InChIInChI=1S/C22H34O4/c1-3-21(9-11-23-15-21)17-25-13-19-5-7-20(8-6-19)14-26-18-22(4-2)10-12-24-16-22/h5-8H,3-4,9-18H2,1-2H3
InChIKeyWMZYSSZKYUDBBV-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.35
Rot. Bonds10

About 3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane

3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane (PubChem CID 143199326) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is 3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane.

Molecular Properties

Compound Name3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane
PubChem CID143199326
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane
SMILESCCC1(COCc2ccc(COCC3(CC)CCOC3)cc2)CCOC1
InChIInChI=1S/C22H34O4/c1-3-21(9-11-23-15-21)17-25-13-19-5-7-20(8-6-19)14-26-18-22(4-2)10-12-24-16-22/h5-8H,3-4,9-18H2,1-2H3
InChIKeyWMZYSSZKYUDBBV-UHFFFAOYSA-N
XLogP4.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 102940530
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
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 102940533
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 102940532
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
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane
CID 139997866
3-ethyl-3-[(2-propylphenyl)methoxymethyl]oxetane
CID 174397153
CID 160516372
CID 160516372
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-[(2-phenylphenyl)methoxymethyl]oxetane
CID 139890005

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane?
The IUPAC name of 3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane (CID 143199326) is 3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane.
What is the SMILES notation for 3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane?
The canonical SMILES for 3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane is CCC1(COCc2ccc(COCC3(CC)CCOC3)cc2)CCOC1.
What is the InChIKey of 3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane?
The InChIKey is WMZYSSZKYUDBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O4/c1-3-21(9-11-23-15-21)17-25-13-19-5-7-20(8-6-19)14-26-18-22(4-2)10-12-24-16-22/h5-8H,3-4,9-18H2,1-2H3.
What are the key properties of 3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane?
3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane has a molecular weight of 362.51 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[4-[(3-ethyloxolan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxolane is sourced from PubChem (CID 143199326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).