3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane

C11H24OS — CID 58165100

IUPAC3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane
SMILESCCOCSCC(C(C)C)C(C)C
InChIInChI=1S/C11H24OS/c1-6-12-8-13-7-11(9(2)3)10(4)5/h9-11H,6-8H2,1-5H3
InChIKeyJXFCVHPICUTCLC-UHFFFAOYSA-N
MW204.38 g/mol
LogP3.64
Rot. Bonds7

About 3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane

3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane (PubChem CID 58165100) has the molecular formula C11H24OS and a molecular weight of 204.38 g/mol. Its IUPAC name is 3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane.

Molecular Properties

Compound Name3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane
PubChem CID58165100
Molecular FormulaC11H24OS
Molecular Weight204.38 g/mol
Exact Mass204.15
IUPAC Name3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane
SMILESCCOCSCC(C(C)C)C(C)C
InChIInChI=1S/C11H24OS/c1-6-12-8-13-7-11(9(2)3)10(4)5/h9-11H,6-8H2,1-5H3
InChIKeyJXFCVHPICUTCLC-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane?
The IUPAC name of 3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane (CID 58165100) is 3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane.
What is the SMILES notation for 3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane?
The canonical SMILES for 3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane is CCOCSCC(C(C)C)C(C)C.
What is the InChIKey of 3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane?
The InChIKey is JXFCVHPICUTCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OS/c1-6-12-8-13-7-11(9(2)3)10(4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of 3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane?
3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane has a molecular weight of 204.38 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethylsulfanylmethyl)-2,4-dimethylpentane is sourced from PubChem (CID 58165100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).