ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran

C14H28OS — CID 143730777

IUPACethane;2-(ethoxymethyl)-4,4-dimethylthiopyran
SMILESCC.CC.CCOCC1=CC(C)(C)C=CS1
InChIInChI=1S/C10H16OS.2C2H6/c1-4-11-8-9-7-10(2,3)5-6-12-9;2*1-2/h5-7H,4,8H2,1-3H3;2*1-2H3
InChIKeyUJXHIZCMUXPLEF-UHFFFAOYSA-N
MW244.44 g/mol
LogP5.25
Rot. Bonds3

About ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran

ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran (PubChem CID 143730777) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran.

Molecular Properties

Compound Nameethane;2-(ethoxymethyl)-4,4-dimethylthiopyran
PubChem CID143730777
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Nameethane;2-(ethoxymethyl)-4,4-dimethylthiopyran
SMILESCC.CC.CCOCC1=CC(C)(C)C=CS1
InChIInChI=1S/C10H16OS.2C2H6/c1-4-11-8-9-7-10(2,3)5-6-12-9;2*1-2/h5-7H,4,8H2,1-3H3;2*1-2H3
InChIKeyUJXHIZCMUXPLEF-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methylsulfanyl-3,6-dihydro-2H-pyran
CID 91493102
3-ethyl-2-(methoxymethyl)-4H-thiopyran
CID 123442266
5-(1-ethylsulfanylethyl)-3,6-dihydro-2H-pyran
CID 130224435
(2E,5Z)-3-ethylsulfanyl-1-methoxyhepta-2,5-diene
CID 138723480
3-Methyl-2,5-dihydrofuran;2-methyl-2,5-dihydrothiophene
CID 143663964
(2Z,5Z)-1-methoxy-4-methyl-8-methylsulfanylocta-2,5-diene
CID 155188283
O-[(E)-4,4-dimethylpent-2-enyl] ethanethioate
CID 174069418
(6E)-8-(2-ethylsulfanylethoxy)octa-1,6-diene
CID 13659450
(E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene
CID 14364624
8-{2-[(Propan-2-yl)sulfanyl]ethoxy}octa-1,6-diene
CID 71335284
2-(Ethoxymethyl)-4,4-dimethylthiopyran
CID 143730778

Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran?
The IUPAC name of ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran (CID 143730777) is ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran.
What is the SMILES notation for ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran?
The canonical SMILES for ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran is CC.CC.CCOCC1=CC(C)(C)C=CS1.
What is the InChIKey of ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran?
The InChIKey is UJXHIZCMUXPLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS.2C2H6/c1-4-11-8-9-7-10(2,3)5-6-12-9;2*1-2/h5-7H,4,8H2,1-3H3;2*1-2H3.
What are the key properties of ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran?
ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran has a molecular weight of 244.44 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran is sourced from PubChem (CID 143730777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).