3-(methoxymethyl)-3-propan-2-ylthietane

C8H16OS — CID 167542491

IUPAC3-(methoxymethyl)-3-propan-2-ylthietane
SMILESCOCC1(C(C)C)CSC1
InChIInChI=1S/C8H16OS/c1-7(2)8(4-9-3)5-10-6-8/h7H,4-6H2,1-3H3
InChIKeyBJJORUATQRZXGG-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.02
Rot. Bonds3

About 3-(methoxymethyl)-3-propan-2-ylthietane

3-(methoxymethyl)-3-propan-2-ylthietane (PubChem CID 167542491) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-(methoxymethyl)-3-propan-2-ylthietane.

Molecular Properties

Compound Name3-(methoxymethyl)-3-propan-2-ylthietane
PubChem CID167542491
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3-(methoxymethyl)-3-propan-2-ylthietane
SMILESCOCC1(C(C)C)CSC1
InChIInChI=1S/C8H16OS/c1-7(2)8(4-9-3)5-10-6-8/h7H,4-6H2,1-3H3
InChIKeyBJJORUATQRZXGG-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-t-Butyl-1,3-oxathiane
CID 552726
3-Ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane
CID 70796621
1-Tert-butylsulfanyl-1-methoxy-3,3-dimethylbutane
CID 89232494
3-(2-Butoxyethyl)thietane
CID 117956676
3-Methyl-3-(2-methylsulfanylpropyl)oxetane
CID 123705438
3-(3,3-Dimethylbutylsulfanylmethyl)-3-methyloxetane
CID 139320655
3-Ethyl-3-(methylsulfanylmethyl)oxetane
CID 154620411
3,3-Dimethyl-1-(3-methylsulfanylpropoxy)butane
CID 154992256
3-(4,4-Dimethyl-1-methylsulfanylpentan-3-yl)oxetane
CID 155356520
3-Propan-2-yl-3-propan-2-ylsulfanyloxetane
CID 164846026
3-(Tert-butylsulfinylmethyl)-3-propan-2-yloxetane
CID 167638313
Ethane;3-ethyl-3-methylsulfanyloxetane
CID 170732273

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-3-propan-2-ylthietane?
The IUPAC name of 3-(methoxymethyl)-3-propan-2-ylthietane (CID 167542491) is 3-(methoxymethyl)-3-propan-2-ylthietane.
What is the SMILES notation for 3-(methoxymethyl)-3-propan-2-ylthietane?
The canonical SMILES for 3-(methoxymethyl)-3-propan-2-ylthietane is COCC1(C(C)C)CSC1.
What is the InChIKey of 3-(methoxymethyl)-3-propan-2-ylthietane?
The InChIKey is BJJORUATQRZXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)8(4-9-3)5-10-6-8/h7H,4-6H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-3-propan-2-ylthietane?
3-(methoxymethyl)-3-propan-2-ylthietane has a molecular weight of 160.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-3-propan-2-ylthietane is sourced from PubChem (CID 167542491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).