2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol

C11H24O2S — CID 155178401

IUPAC2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol
SMILESCC(C)(C)OCCC(C)(C)OCCS
InChIInChI=1S/C11H24O2S/c1-10(2,3)12-7-6-11(4,5)13-8-9-14/h14H,6-9H2,1-5H3
InChIKeyOKAVFTHEDNEKTH-UHFFFAOYSA-N
MW220.38 g/mol
LogP2.92
Rot. Bonds6

About 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol

2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol (PubChem CID 155178401) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol.

Molecular Properties

Compound Name2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol
PubChem CID155178401
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol
SMILESCC(C)(C)OCCC(C)(C)OCCS
InChIInChI=1S/C11H24O2S/c1-10(2,3)12-7-6-11(4,5)13-8-9-14/h14H,6-9H2,1-5H3
InChIKeyOKAVFTHEDNEKTH-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-4-[3-methyl-3-(3-sulfanylpropoxy)butoxy]pentane-1-thiol
CID 87919803
N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
CID 155034107
3-methyl-3-(3-methyl-3-sulfanylbutoxy)butane-1-thiol
CID 134415804
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 121440686
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite
CID 146548952
9-[(2-methylpropan-2-yl)oxy]nonane-1-thiol
CID 105344392
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl 2-aminoprop-2-enoate
CID 163636275
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate
CID 88896989
3-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethylsulfanyl]propanoic acid
CID 155228839
2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
CID 123352444
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium
CID 123372545

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol?
The IUPAC name of 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol (CID 155178401) is 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol.
What is the SMILES notation for 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol?
The canonical SMILES for 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol is CC(C)(C)OCCC(C)(C)OCCS.
What is the InChIKey of 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol?
The InChIKey is OKAVFTHEDNEKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S/c1-10(2,3)12-7-6-11(4,5)13-8-9-14/h14H,6-9H2,1-5H3.
What are the key properties of 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol?
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol has a molecular weight of 220.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol is sourced from PubChem (CID 155178401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).