methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C18H28O6S2 — CID 157072268

IUPACmethane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC.C.COC1COc2cscc2OC1.COCC1COc2cscc2O1
InChIInChI=1S/2C8H10O3S.2CH4/c1-9-6-2-10-7-4-12-5-8(7)11-3-6;1-9-2-6-3-10-7-4-12-5-8(7)11-6;;/h2*4-6H,2-3H2,1H3;2*1H4
InChIKeyACOKDQJJJSFRDE-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.34
Rot. Bonds3

About methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 157072268) has the molecular formula C18H28O6S2 and a molecular weight of 404.55 g/mol. Its IUPAC name is methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Namemethane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID157072268
Molecular FormulaC18H28O6S2
Molecular Weight404.55 g/mol
Exact Mass404.13
IUPAC Namemethane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC.C.COC1COc2cscc2OC1.COCC1COc2cscc2O1
InChIInChI=1S/2C8H10O3S.2CH4/c1-9-6-2-10-7-4-12-5-8(7)11-3-6;1-9-2-6-3-10-7-4-12-5-8(7)11-6;;/h2*4-6H,2-3H2,1H3;2*1H4
InChIKeyACOKDQJJJSFRDE-UHFFFAOYSA-N
XLogP4.34
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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Related Compounds

3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 158165895
3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexyl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 142745537
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate
CID 142879820
1-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)-N,N-dimethylmethanamine
CID 140918488
6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine
CID 86096746
3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 142745535
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine
CID 139489964
trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate
CID 20758025
1,3-benzodioxole;(3S)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 91314133
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid
CID 45122038
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 21022197
3-[(3-aminophosphanylidene-2,2-dimethylpropoxy)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 145498571

Frequently Asked Questions

What is the IUPAC name of methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 157072268) is methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is C.C.COC1COc2cscc2OC1.COCC1COc2cscc2O1.
What is the InChIKey of methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is ACOKDQJJJSFRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10O3S.2CH4/c1-9-6-2-10-7-4-12-5-8(7)11-3-6;1-9-2-6-3-10-7-4-12-5-8(7)11-6;;/h2*4-6H,2-3H2,1H3;2*1H4.
What are the key properties of methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 404.55 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 157072268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).