3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane

C17H32O2 — CID 23579729

IUPAC3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane
SMILESCCC1(CCCC2(CC)COC2(C)C)COC1(C)C
InChIInChI=1S/C17H32O2/c1-7-16(12-18-14(16,3)4)10-9-11-17(8-2)13-19-15(17,5)6/h7-13H2,1-6H3
InChIKeyPARQXNCHLUPYRH-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.57
Rot. Bonds6

About 3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane

3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane (PubChem CID 23579729) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane.

Molecular Properties

Compound Name3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane
PubChem CID23579729
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane
SMILESCCC1(CCCC2(CC)COC2(C)C)COC1(C)C
InChIInChI=1S/C17H32O2/c1-7-16(12-18-14(16,3)4)10-9-11-17(8-2)13-19-15(17,5)6/h7-13H2,1-6H3
InChIKeyPARQXNCHLUPYRH-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane?
The IUPAC name of 3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane (CID 23579729) is 3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane.
What is the SMILES notation for 3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane?
The canonical SMILES for 3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane is CCC1(CCCC2(CC)COC2(C)C)COC1(C)C.
What is the InChIKey of 3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane?
The InChIKey is PARQXNCHLUPYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-7-16(12-18-14(16,3)4)10-9-11-17(8-2)13-19-15(17,5)6/h7-13H2,1-6H3.
What are the key properties of 3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane?
3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane has a molecular weight of 268.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[3-(3-ethyl-2,2-dimethyloxetan-3-yl)propyl]-2,2-dimethyloxetane is sourced from PubChem (CID 23579729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).