2-methyl-4-methylsulfanyloxypentane

C7H16OS — CID 134928511

IUPAC2-methyl-4-methylsulfanyloxypentane
SMILESCSOC(C)CC(C)C
InChIInChI=1S/C7H16OS/c1-6(2)5-7(3)8-9-4/h6-7H,5H2,1-4H3
InChIKeyXHCYXVXBAWKAEX-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.72
Rot. Bonds4

About 2-methyl-4-methylsulfanyloxypentane

2-methyl-4-methylsulfanyloxypentane (PubChem CID 134928511) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanyloxypentane.

Molecular Properties

Compound Name2-methyl-4-methylsulfanyloxypentane
PubChem CID134928511
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name2-methyl-4-methylsulfanyloxypentane
SMILESCSOC(C)CC(C)C
InChIInChI=1S/C7H16OS/c1-6(2)5-7(3)8-9-4/h6-7H,5H2,1-4H3
InChIKeyXHCYXVXBAWKAEX-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.72
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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Related Compounds

4-Methylpentan-2-yl methanesulfinate
CID 134928848
O-(4-methylpentan-2-yl) methanethioate
CID 87569042
4-Methylpentan-2-yl methanesulfonate
CID 89440598
4-Methyl-1-propan-2-yloxysulfanylpentane
CID 91348469
[(2R)-4-methylpentan-2-yl] methanesulfonate
CID 121378285
4-Methyl-1-methylsulfanyloxypentane
CID 123958769
2-Methyl-4-sulfanyloxypentane
CID 134302466
2,6-Dimethyl-4-methylsulfanyloxyheptane
CID 174192565
2,2-Dimethyl-4-methylsulfanyloxypentane
CID 178781221

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanyloxypentane?
The IUPAC name of 2-methyl-4-methylsulfanyloxypentane (CID 134928511) is 2-methyl-4-methylsulfanyloxypentane.
What is the SMILES notation for 2-methyl-4-methylsulfanyloxypentane?
The canonical SMILES for 2-methyl-4-methylsulfanyloxypentane is CSOC(C)CC(C)C.
What is the InChIKey of 2-methyl-4-methylsulfanyloxypentane?
The InChIKey is XHCYXVXBAWKAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-6(2)5-7(3)8-9-4/h6-7H,5H2,1-4H3.
What are the key properties of 2-methyl-4-methylsulfanyloxypentane?
2-methyl-4-methylsulfanyloxypentane has a molecular weight of 148.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanyloxypentane is sourced from PubChem (CID 134928511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).