3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C14H20O3S — CID 142745535

IUPAC3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1scc2c1OCC(COCC1CCCCC1)O2
InChIInChI=1S/C14H20O3S/c1-2-4-11(5-3-1)6-15-7-12-8-16-13-9-18-10-14(13)17-12/h9-12H,1-8H2
InChIKeyOUOMHIQYCHCFBA-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.48
Rot. Bonds4

About 3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 142745535) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID142745535
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1scc2c1OCC(COCC1CCCCC1)O2
InChIInChI=1S/C14H20O3S/c1-2-4-11(5-3-1)6-15-7-12-8-16-13-9-18-10-14(13)17-12/h9-12H,1-8H2
InChIKeyOUOMHIQYCHCFBA-UHFFFAOYSA-N
XLogP3.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 142745535) is 3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is c1scc2c1OCC(COCC1CCCCC1)O2.
What is the InChIKey of 3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is OUOMHIQYCHCFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-2-4-11(5-3-1)6-15-7-12-8-16-13-9-18-10-14(13)17-12/h9-12H,1-8H2.
What are the key properties of 3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 268.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 142745535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).