dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane

C11H26S — CID 123444317

IUPACdimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane
SMILESCCCC(C)S(C)(C)CC(C)C
InChIInChI=1S/C11H26S/c1-7-8-11(4)12(5,6)9-10(2)3/h10-11H,7-9H2,1-6H3
InChIKeyDGSWJGGWECVCCH-UHFFFAOYSA-N
MW190.40 g/mol
LogP3.90
Rot. Bonds5

About dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane

dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane (PubChem CID 123444317) has the molecular formula C11H26S and a molecular weight of 190.40 g/mol. Its IUPAC name is dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane
PubChem CID123444317
Molecular FormulaC11H26S
Molecular Weight190.40 g/mol
Exact Mass190.18
IUPAC Namedimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane
SMILESCCCC(C)S(C)(C)CC(C)C
InChIInChI=1S/C11H26S/c1-7-8-11(4)12(5,6)9-10(2)3/h10-11H,7-9H2,1-6H3
InChIKeyDGSWJGGWECVCCH-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

dimethyl-pentan-2-yl-sulfanyl-λ4-sulfane
CID 123278926
2-methylpentane
CID 7892
4-(2-methylpropylsulfonyl)heptane
CID 142872374
hexane;2-methylpentane
CID 19835603
azane;2-methylpentane
CID 18347292
ethane;2-methylpentane
CID 143713716
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 87098569
1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine
CID 64647016
methane;2-methylpentane;propane
CID 161026516
ethane;methane;bis(2-methylpentane)
CID 142143156
(2S)-pentan-2-amine
CID 6997344

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane?
The IUPAC name of dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane (CID 123444317) is dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane.
What is the SMILES notation for dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane?
The canonical SMILES for dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane is CCCC(C)S(C)(C)CC(C)C.
What is the InChIKey of dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane?
The InChIKey is DGSWJGGWECVCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26S/c1-7-8-11(4)12(5,6)9-10(2)3/h10-11H,7-9H2,1-6H3.
What are the key properties of dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane?
dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane has a molecular weight of 190.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane is sourced from PubChem (CID 123444317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).