3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine

C14H22O3S — CID 71016309

IUPAC3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
SMILESCCCC1(COC)COc2c(C)sc(C)c2OC1
InChIInChI=1S/C14H22O3S/c1-5-6-14(7-15-4)8-16-12-10(2)18-11(3)13(12)17-9-14/h5-9H2,1-4H3
InChIKeyULYNBHGXQZUOGZ-UHFFFAOYSA-N
MW270.39 g/mol
LogP3.57
Rot. Bonds4

About 3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine

3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine (PubChem CID 71016309) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is 3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine.

Molecular Properties

Compound Name3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
PubChem CID71016309
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
SMILESCCCC1(COC)COc2c(C)sc(C)c2OC1
InChIInChI=1S/C14H22O3S/c1-5-6-14(7-15-4)8-16-12-10(2)18-11(3)13(12)17-9-14/h5-9H2,1-4H3
InChIKeyULYNBHGXQZUOGZ-UHFFFAOYSA-N
XLogP3.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
The IUPAC name of 3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine (CID 71016309) is 3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine.
What is the SMILES notation for 3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
The canonical SMILES for 3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine is CCCC1(COC)COc2c(C)sc(C)c2OC1.
What is the InChIKey of 3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
The InChIKey is ULYNBHGXQZUOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3S/c1-5-6-14(7-15-4)8-16-12-10(2)18-11(3)13(12)17-9-14/h5-9H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine has a molecular weight of 270.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6,8-dimethyl-3-propyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine is sourced from PubChem (CID 71016309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).