3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane

C15H30O2 — CID 144986701

IUPAC3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane
SMILESCC.CCC1(COCC2CCCCC2)COC1
InChIInChI=1S/C13H24O2.C2H6/c1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12;1-2/h12H,2-11H2,1H3;1-2H3
InChIKeyJDHYUYFJWOLWOM-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.04
Rot. Bonds5

About 3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane

3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane (PubChem CID 144986701) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane.

Molecular Properties

Compound Name3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane
PubChem CID144986701
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane
SMILESCC.CCC1(COCC2CCCCC2)COC1
InChIInChI=1S/C13H24O2.C2H6/c1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12;1-2/h12H,2-11H2,1H3;1-2H3
InChIKeyJDHYUYFJWOLWOM-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane?
The IUPAC name of 3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane (CID 144986701) is 3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane.
What is the SMILES notation for 3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane?
The canonical SMILES for 3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane is CC.CCC1(COCC2CCCCC2)COC1.
What is the InChIKey of 3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane?
The InChIKey is JDHYUYFJWOLWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2.C2H6/c1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12;1-2/h12H,2-11H2,1H3;1-2H3.
What are the key properties of 3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane?
3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane has a molecular weight of 242.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxymethyl)-3-ethyloxetane;ethane is sourced from PubChem (CID 144986701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).