2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane

C17H36O2S — CID 134419043

IUPAC2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane
SMILESCCC(C)(CCOC(C)C)OC(SC)C(C)CC(C)C
InChIInChI=1S/C17H36O2S/c1-9-17(7,10-11-18-14(4)5)19-16(20-8)15(6)12-13(2)3/h13-16H,9-12H2,1-8H3
InChIKeyWVIDKUPFXWRTJC-UHFFFAOYSA-N
MW304.54 g/mol
LogP5.36
Rot. Bonds11

About 2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane

2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane (PubChem CID 134419043) has the molecular formula C17H36O2S and a molecular weight of 304.54 g/mol. Its IUPAC name is 2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane.

Molecular Properties

Compound Name2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane
PubChem CID134419043
Molecular FormulaC17H36O2S
Molecular Weight304.54 g/mol
Exact Mass304.24
IUPAC Name2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane
SMILESCCC(C)(CCOC(C)C)OC(SC)C(C)CC(C)C
InChIInChI=1S/C17H36O2S/c1-9-17(7,10-11-18-14(4)5)19-16(20-8)15(6)12-13(2)3/h13-16H,9-12H2,1-8H3
InChIKeyWVIDKUPFXWRTJC-UHFFFAOYSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.54
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane?
The IUPAC name of 2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane (CID 134419043) is 2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane.
What is the SMILES notation for 2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane?
The canonical SMILES for 2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane is CCC(C)(CCOC(C)C)OC(SC)C(C)CC(C)C.
What is the InChIKey of 2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane?
The InChIKey is WVIDKUPFXWRTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2S/c1-9-17(7,10-11-18-14(4)5)19-16(20-8)15(6)12-13(2)3/h13-16H,9-12H2,1-8H3.
What are the key properties of 2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane?
2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane has a molecular weight of 304.54 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-methylsulfanylpentane is sourced from PubChem (CID 134419043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).