1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane

C8H18O2S — CID 20798613

IUPAC1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane
SMILESCOCC(C)(COC)CSC
InChIInChI=1S/C8H18O2S/c1-8(5-9-2,6-10-3)7-11-4/h5-7H2,1-4H3
InChIKeyAKDIWSPJWROFSD-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.65
Rot. Bonds6

About 1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane

1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane (PubChem CID 20798613) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane
PubChem CID20798613
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane
SMILESCOCC(C)(COC)CSC
InChIInChI=1S/C8H18O2S/c1-8(5-9-2,6-10-3)7-11-4/h5-7H2,1-4H3
InChIKeyAKDIWSPJWROFSD-UHFFFAOYSA-N
XLogP1.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methoxy-2-(methoxymethyl)-3-methylsulfanylpropane
CID 20798614
1-(2-Methoxyethylsulfanyl)-2,2-dimethylpropane
CID 21060140
1-Methoxy-3-(2-methoxyethylsulfanyl)-2-methylpropane
CID 22082032
1-Methoxy-3-(3-methoxypropylsulfanyl)propane
CID 53705184
2,2-Dimethyl-1-(3-methylsulfanylpropoxy)propane
CID 87678413
1-Tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane
CID 88857717
1-(Ethylsulfanylmethoxy)-2,2-dimethylpropane
CID 118027022
1-(3-Ethylsulfanylpropoxy)-2,2-dimethylpropane
CID 118245617
2-(2,2-Dimethylpropoxy)ethyl-trimethyl-lambda4-sulfane
CID 131967586
1-Methoxy-2,2-bis(methoxymethyl)-3-methylsulfanylpropane
CID 132082987
[2-(3-Methoxypropoxy)-2-methylpropyl]-trimethyl-lambda4-sulfane
CID 134565673
1-Methoxypropane;1-methylsulfanylpropane
CID 157834244

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane?
The IUPAC name of 1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane (CID 20798613) is 1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane is COCC(C)(COC)CSC.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane?
The InChIKey is AKDIWSPJWROFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-8(5-9-2,6-10-3)7-11-4/h5-7H2,1-4H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane?
1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane has a molecular weight of 178.30 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)-2-methyl-3-methylsulfanylpropane is sourced from PubChem (CID 20798613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).