3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine

C17H28O4S — CID 134814573

IUPAC3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
SMILESCCOCC1(COCC)COc2c(CC)sc(CC)c2OC1
InChIInChI=1S/C17H28O4S/c1-5-13-15-16(14(6-2)22-13)21-12-17(11-20-15,9-18-7-3)10-19-8-4/h5-12H2,1-4H3
InChIKeyKOLMOVUJHSFHJT-UHFFFAOYSA-N
MW328.47 g/mol
LogP3.70
Rot. Bonds8

About 3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine

3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine (PubChem CID 134814573) has the molecular formula C17H28O4S and a molecular weight of 328.47 g/mol. Its IUPAC name is 3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine.

Molecular Properties

Compound Name3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
PubChem CID134814573
Molecular FormulaC17H28O4S
Molecular Weight328.47 g/mol
Exact Mass328.17
IUPAC Name3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
SMILESCCOCC1(COCC)COc2c(CC)sc(CC)c2OC1
InChIInChI=1S/C17H28O4S/c1-5-13-15-16(14(6-2)22-13)21-12-17(11-20-15,9-18-7-3)10-19-8-4/h5-12H2,1-4H3
InChIKeyKOLMOVUJHSFHJT-UHFFFAOYSA-N
XLogP3.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-Difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 130182524
(3-Fluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepin-3-yl)phosphane
CID 130182634
3,3-Difluoro-6,8-di(propan-2-yl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 145767323
6,8-Dimethyl-3,3-bis(4,4,6,6-tetrafluorooctoxymethyl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 157274997
3-(4,4,6,6,8,8,8-Heptafluorooctoxymethyl)-6,8-dimethyl-3-(4,4,6,6-tetrafluorooctoxymethyl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 158794557
6,8-Diethynyl-3,3-dioctyl-3,4-dihydro-2h-thieno[3,4-b][1,4]dioxepine
CID 101953024
6,8-Diethynyl-bis(3-hydroxy-3-methyl-1-butynyl)-3,3-dioctyl-3,4-dihydro-2h-thieno[3,4-b][1,4]-dioxepine
CID 129866863
Tributyl-(7-dodecyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane
CID 135078401
2,5-Di(propan-2-yl)-3-propoxy-4-(3,3,3-trifluoropropoxy)thiophene
CID 159797613
2-Tri-n-butylstannyl-5-n-hexyl-3,4-ethylenedioxythiophene
CID 11071330
5,7-Diethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18346348
5,7-Diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18346349

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
The IUPAC name of 3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine (CID 134814573) is 3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine.
What is the SMILES notation for 3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
The canonical SMILES for 3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine is CCOCC1(COCC)COc2c(CC)sc(CC)c2OC1.
What is the InChIKey of 3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
The InChIKey is KOLMOVUJHSFHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4S/c1-5-13-15-16(14(6-2)22-13)21-12-17(11-20-15,9-18-7-3)10-19-8-4/h5-12H2,1-4H3.
What are the key properties of 3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine has a molecular weight of 328.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(ethoxymethyl)-6,8-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine is sourced from PubChem (CID 134814573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).