3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane

C19H28O2 — CID 173300332

IUPAC3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane
SMILESCCC1(Cc2ccc(CC3(CC)COC3)c(C)c2)COC1
InChIInChI=1S/C19H28O2/c1-4-18(11-20-12-18)9-16-6-7-17(15(3)8-16)10-19(5-2)13-21-14-19/h6-8H,4-5,9-14H2,1-3H3
InChIKeyOIBBCXQGPUIDAO-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.93
Rot. Bonds6

About 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane

3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane (PubChem CID 173300332) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane
PubChem CID173300332
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane
SMILESCCC1(Cc2ccc(CC3(CC)COC3)c(C)c2)COC1
InChIInChI=1S/C19H28O2/c1-4-18(11-20-12-18)9-16-6-7-17(15(3)8-16)10-19(5-2)13-21-14-19/h6-8H,4-5,9-14H2,1-3H3
InChIKeyOIBBCXQGPUIDAO-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane?
The IUPAC name of 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane (CID 173300332) is 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane is CCC1(Cc2ccc(CC3(CC)COC3)c(C)c2)COC1.
What is the InChIKey of 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane?
The InChIKey is OIBBCXQGPUIDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-4-18(11-20-12-18)9-16-6-7-17(15(3)8-16)10-19(5-2)13-21-14-19/h6-8H,4-5,9-14H2,1-3H3.
What are the key properties of 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane?
3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane has a molecular weight of 288.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane is sourced from PubChem (CID 173300332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).