1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane

C10H22OS — CID 158028982

IUPAC1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane
SMILESCOCC(CSC)CC(C)(C)C
InChIInChI=1S/C10H22OS/c1-10(2,3)6-9(7-11-4)8-12-5/h9H,6-8H2,1-5H3
InChIKeyFGYKILZKFWYZNP-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.05
Rot. Bonds5

About 1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane

1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane (PubChem CID 158028982) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane.

Molecular Properties

Compound Name1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane
PubChem CID158028982
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane
SMILESCOCC(CSC)CC(C)(C)C
InChIInChI=1S/C10H22OS/c1-10(2,3)6-9(7-11-4)8-12-5/h9H,6-8H2,1-5H3
InChIKeyFGYKILZKFWYZNP-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methoxymethyl)-4,4-dimethylpentane-1,3-dithiol
CID 17768366
1-(Methoxymethylsulfanyl)-4,4-dimethylpentane
CID 58218167
1-Methoxy-2,4-dimethyl-3-methylsulfanylpentane
CID 87313981
1-Methoxy-2,4-dimethyl-5-methylsulfanylpentane
CID 89091081
1-Tert-butylsulfanyl-1-methoxy-3,3-dimethylbutane
CID 89232494
4,4-Dimethyl-2-(methylsulfanylmethyl)pentan-1-ol
CID 117242012
1-(4-Methoxybutylsulfanyl)-4-methylpentane
CID 117617412
3,3-Dimethyl-4-methylsulfanyloxane
CID 123566687
3-Methyl-3-(2-methylsulfanylpropyl)oxetane
CID 123705438
1-(3-Methylbutoxymethylsulfanyl)pentane
CID 123998581
1-Methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane
CID 134254751
5-Ethyl-5-propan-2-yl-1,3-oxathiane
CID 138519913

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane?
The IUPAC name of 1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane (CID 158028982) is 1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane.
What is the SMILES notation for 1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane?
The canonical SMILES for 1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane is COCC(CSC)CC(C)(C)C.
What is the InChIKey of 1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane?
The InChIKey is FGYKILZKFWYZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-10(2,3)6-9(7-11-4)8-12-5/h9H,6-8H2,1-5H3.
What are the key properties of 1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane?
1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane has a molecular weight of 190.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane is sourced from PubChem (CID 158028982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).