2,6-dimethyl-4-methylsulfanyloxyheptane

C10H22OS — CID 174192565

IUPAC2,6-dimethyl-4-methylsulfanyloxyheptane
SMILESCSOC(CC(C)C)CC(C)C
InChIInChI=1S/C10H22OS/c1-8(2)6-10(11-12-5)7-9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyUIYVQNXJZNHCPX-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.74
Rot. Bonds6

About 2,6-dimethyl-4-methylsulfanyloxyheptane

2,6-dimethyl-4-methylsulfanyloxyheptane (PubChem CID 174192565) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-methylsulfanyloxyheptane.

Molecular Properties

Compound Name2,6-dimethyl-4-methylsulfanyloxyheptane
PubChem CID174192565
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name2,6-dimethyl-4-methylsulfanyloxyheptane
SMILESCSOC(CC(C)C)CC(C)C
InChIInChI=1S/C10H22OS/c1-8(2)6-10(11-12-5)7-9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyUIYVQNXJZNHCPX-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-methylsulfanyloxyheptane?
The IUPAC name of 2,6-dimethyl-4-methylsulfanyloxyheptane (CID 174192565) is 2,6-dimethyl-4-methylsulfanyloxyheptane.
What is the SMILES notation for 2,6-dimethyl-4-methylsulfanyloxyheptane?
The canonical SMILES for 2,6-dimethyl-4-methylsulfanyloxyheptane is CSOC(CC(C)C)CC(C)C.
What is the InChIKey of 2,6-dimethyl-4-methylsulfanyloxyheptane?
The InChIKey is UIYVQNXJZNHCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-8(2)6-10(11-12-5)7-9(3)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 2,6-dimethyl-4-methylsulfanyloxyheptane?
2,6-dimethyl-4-methylsulfanyloxyheptane has a molecular weight of 190.35 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-methylsulfanyloxyheptane is sourced from PubChem (CID 174192565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).