2,2-dimethylpentyl(trimethyl)-λ4-sulfane

C10H24S — CID 166906387

IUPAC2,2-dimethylpentyl(trimethyl)-λ4-sulfane
SMILESCCCC(C)(C)CS(C)(C)C
InChIInChI=1S/C10H24S/c1-7-8-10(2,3)9-11(4,5)6/h7-9H2,1-6H3
InChIKeyWKPALIUIDPXEGP-UHFFFAOYSA-N
MW176.37 g/mol
LogP3.51
Rot. Bonds4

About 2,2-dimethylpentyl(trimethyl)-λ4-sulfane

2,2-dimethylpentyl(trimethyl)-λ4-sulfane (PubChem CID 166906387) has the molecular formula C10H24S and a molecular weight of 176.37 g/mol. Its IUPAC name is 2,2-dimethylpentyl(trimethyl)-λ4-sulfane.

Molecular Properties

Compound Name2,2-dimethylpentyl(trimethyl)-λ4-sulfane
PubChem CID166906387
Molecular FormulaC10H24S
Molecular Weight176.37 g/mol
Exact Mass176.16
IUPAC Name2,2-dimethylpentyl(trimethyl)-λ4-sulfane
SMILESCCCC(C)(C)CS(C)(C)C
InChIInChI=1S/C10H24S/c1-7-8-10(2,3)9-11(4,5)6/h7-9H2,1-6H3
InChIKeyWKPALIUIDPXEGP-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentyl(trimethyl)-λ4-sulfane?
The IUPAC name of 2,2-dimethylpentyl(trimethyl)-λ4-sulfane (CID 166906387) is 2,2-dimethylpentyl(trimethyl)-λ4-sulfane.
What is the SMILES notation for 2,2-dimethylpentyl(trimethyl)-λ4-sulfane?
The canonical SMILES for 2,2-dimethylpentyl(trimethyl)-λ4-sulfane is CCCC(C)(C)CS(C)(C)C.
What is the InChIKey of 2,2-dimethylpentyl(trimethyl)-λ4-sulfane?
The InChIKey is WKPALIUIDPXEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24S/c1-7-8-10(2,3)9-11(4,5)6/h7-9H2,1-6H3.
What are the key properties of 2,2-dimethylpentyl(trimethyl)-λ4-sulfane?
2,2-dimethylpentyl(trimethyl)-λ4-sulfane has a molecular weight of 176.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentyl(trimethyl)-λ4-sulfane is sourced from PubChem (CID 166906387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).