2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane

C11H22OS — CID 20662326

IUPAC2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane
SMILESCOCC1SC(C(C)C)C(C)C1C
InChIInChI=1S/C11H22OS/c1-7(2)11-9(4)8(3)10(13-11)6-12-5/h7-11H,6H2,1-5H3
InChIKeyUYNPITADNKUEIY-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.05
Rot. Bonds3

About 2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane

2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane (PubChem CID 20662326) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane.

Molecular Properties

Compound Name2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane
PubChem CID20662326
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane
SMILESCOCC1SC(C(C)C)C(C)C1C
InChIInChI=1S/C11H22OS/c1-7(2)11-9(4)8(3)10(13-11)6-12-5/h7-11H,6H2,1-5H3
InChIKeyUYNPITADNKUEIY-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane 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

Tetrahydro-2-methyl-5-(1-methylethyl)-2-thiopheneethanol
CID 118437122
2-Heptan-3-yl-1,3-oxathiolane
CID 306084
Smd8gkv1UP
CID 146048053
J1Sjx3H46M
CID 146048067
2-(6-Methylnonyl)-1,3-oxathiolane
CID 21429350
7-Ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane
CID 59278935
2-Butan-2-yl-3,4-dimethyl-5-methylsulfanyloxolane
CID 60012731
2-(3-Methyl-8-methylsulfanyloctan-4-yl)oxolane
CID 70456183
Cyclohexylmethyl-methyl-[3-(oxolan-2-yl)propyl]sulfanium
CID 88744966
2-Ethyl-6-ethylsulfanyl-3,4,5-trimethyloxane
CID 89849636
2-(3-Methoxypropyl)-3-methylthiolane
CID 91446382
2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-oxathiolane
CID 91538248

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane?
The IUPAC name of 2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane (CID 20662326) is 2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane.
What is the SMILES notation for 2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane?
The canonical SMILES for 2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane is COCC1SC(C(C)C)C(C)C1C.
What is the InChIKey of 2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane?
The InChIKey is UYNPITADNKUEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-7(2)11-9(4)8(3)10(13-11)6-12-5/h7-11H,6H2,1-5H3.
What are the key properties of 2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane?
2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane has a molecular weight of 202.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane is sourced from PubChem (CID 20662326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).