3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane

C12H26O3S — CID 58814902

IUPAC3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane
SMILESCCOCC(CC)(CC)S(=O)(=O)CC(C)C
InChIInChI=1S/C12H26O3S/c1-6-12(7-2,10-15-8-3)16(13,14)9-11(4)5/h11H,6-10H2,1-5H3
InChIKeyGFURILDZCIADQD-UHFFFAOYSA-N
MW250.40 g/mol
LogP2.65
Rot. Bonds8

About 3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane

3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane (PubChem CID 58814902) has the molecular formula C12H26O3S and a molecular weight of 250.40 g/mol. Its IUPAC name is 3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane.

Molecular Properties

Compound Name3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane
PubChem CID58814902
Molecular FormulaC12H26O3S
Molecular Weight250.40 g/mol
Exact Mass250.16
IUPAC Name3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane
SMILESCCOCC(CC)(CC)S(=O)(=O)CC(C)C
InChIInChI=1S/C12H26O3S/c1-6-12(7-2,10-15-8-3)16(13,14)9-11(4)5/h11H,6-10H2,1-5H3
InChIKeyGFURILDZCIADQD-UHFFFAOYSA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane?
The IUPAC name of 3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane (CID 58814902) is 3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane.
What is the SMILES notation for 3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane?
The canonical SMILES for 3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane is CCOCC(CC)(CC)S(=O)(=O)CC(C)C.
What is the InChIKey of 3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane?
The InChIKey is GFURILDZCIADQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3S/c1-6-12(7-2,10-15-8-3)16(13,14)9-11(4)5/h11H,6-10H2,1-5H3.
What are the key properties of 3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane?
3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane has a molecular weight of 250.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane is sourced from PubChem (CID 58814902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).