2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol

C10H22O2S — CID 121265162

IUPAC2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol
SMILESCC(C)OCCC(C)(C)OCCS
InChIInChI=1S/C10H22O2S/c1-9(2)11-6-5-10(3,4)12-7-8-13/h9,13H,5-8H2,1-4H3
InChIKeyIHTWJDMGAZUACY-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.53
Rot. Bonds7

About 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol

2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol (PubChem CID 121265162) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol.

Molecular Properties

Compound Name2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol
PubChem CID121265162
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol
SMILESCC(C)OCCC(C)(C)OCCS
InChIInChI=1S/C10H22O2S/c1-9(2)11-6-5-10(3,4)12-7-8-13/h9,13H,5-8H2,1-4H3
InChIKeyIHTWJDMGAZUACY-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol?
The IUPAC name of 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol (CID 121265162) is 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol.
What is the SMILES notation for 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol?
The canonical SMILES for 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol is CC(C)OCCC(C)(C)OCCS.
What is the InChIKey of 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol?
The InChIKey is IHTWJDMGAZUACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-9(2)11-6-5-10(3,4)12-7-8-13/h9,13H,5-8H2,1-4H3.
What are the key properties of 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol?
2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol has a molecular weight of 206.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol is sourced from PubChem (CID 121265162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).