4,4-dimethyl-1-propan-2-ylsulfanylpentane

C10H22S — CID 59397742

IUPAC4,4-dimethyl-1-propan-2-ylsulfanylpentane
SMILESCC(C)SCCCC(C)(C)C
InChIInChI=1S/C10H22S/c1-9(2)11-8-6-7-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyXQAWAWYEJASXMV-UHFFFAOYSA-N
MW174.35 g/mol
LogP3.95
Rot. Bonds4

About 4,4-dimethyl-1-propan-2-ylsulfanylpentane

4,4-dimethyl-1-propan-2-ylsulfanylpentane (PubChem CID 59397742) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-ylsulfanylpentane.

Molecular Properties

Compound Name4,4-dimethyl-1-propan-2-ylsulfanylpentane
PubChem CID59397742
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Name4,4-dimethyl-1-propan-2-ylsulfanylpentane
SMILESCC(C)SCCCC(C)(C)C
InChIInChI=1S/C10H22S/c1-9(2)11-8-6-7-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyXQAWAWYEJASXMV-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propan-2-ylsulfanylpentane?
The IUPAC name of 4,4-dimethyl-1-propan-2-ylsulfanylpentane (CID 59397742) is 4,4-dimethyl-1-propan-2-ylsulfanylpentane.
What is the SMILES notation for 4,4-dimethyl-1-propan-2-ylsulfanylpentane?
The canonical SMILES for 4,4-dimethyl-1-propan-2-ylsulfanylpentane is CC(C)SCCCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-propan-2-ylsulfanylpentane?
The InChIKey is XQAWAWYEJASXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-9(2)11-8-6-7-10(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-propan-2-ylsulfanylpentane?
4,4-dimethyl-1-propan-2-ylsulfanylpentane has a molecular weight of 174.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propan-2-ylsulfanylpentane is sourced from PubChem (CID 59397742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).