1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol

C11H24OS — CID 170705015

IUPAC1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol
SMILESCC(C)CC(C)(C)OCC(C)(C)S
InChIInChI=1S/C11H24OS/c1-9(2)7-10(3,4)12-8-11(5,6)13/h9,13H,7-8H2,1-6H3
InChIKeyLOCLQORLSZGWCP-UHFFFAOYSA-N
MW204.38 g/mol
LogP3.54
Rot. Bonds5

About 1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol

1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol (PubChem CID 170705015) has the molecular formula C11H24OS and a molecular weight of 204.38 g/mol. Its IUPAC name is 1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol.

Molecular Properties

Compound Name1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol
PubChem CID170705015
Molecular FormulaC11H24OS
Molecular Weight204.38 g/mol
Exact Mass204.15
IUPAC Name1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol
SMILESCC(C)CC(C)(C)OCC(C)(C)S
InChIInChI=1S/C11H24OS/c1-9(2)7-10(3,4)12-8-11(5,6)13/h9,13H,7-8H2,1-6H3
InChIKeyLOCLQORLSZGWCP-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-4-(2,2,4-trimethylpentoxy)pentane-2-thiol
CID 145142584
(2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine
CID 166829521
2,4-dimethylpentan-2-yloxy(propan-2-yl)phosphinous acid
CID 178061961
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
CID 123352444
tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium
CID 123205024
2,4-dimethylpentan-2-yl 2-methylpropanoate
CID 58385667
2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane
CID 123832462
4-(2,4,4,6-tetramethylheptan-2-yloxy)butane-2-thiol
CID 156522374
1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane
CID 159890028
1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol
CID 134385792
4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane
CID 167346782

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol?
The IUPAC name of 1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol (CID 170705015) is 1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol.
What is the SMILES notation for 1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol?
The canonical SMILES for 1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol is CC(C)CC(C)(C)OCC(C)(C)S.
What is the InChIKey of 1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol?
The InChIKey is LOCLQORLSZGWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OS/c1-9(2)7-10(3,4)12-8-11(5,6)13/h9,13H,7-8H2,1-6H3.
What are the key properties of 1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol?
1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol has a molecular weight of 204.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol is sourced from PubChem (CID 170705015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).