1-methoxy-2,4-dimethyl-5-methylsulfanylpentane

C9H20OS — CID 89091081

IUPAC1-methoxy-2,4-dimethyl-5-methylsulfanylpentane
SMILESCOCC(C)CC(C)CSC
InChIInChI=1S/C9H20OS/c1-8(6-10-3)5-9(2)7-11-4/h8-9H,5-7H2,1-4H3
InChIKeyMAEPNDDIABCTNJ-UHFFFAOYSA-N
MW176.32 g/mol
LogP2.66
Rot. Bonds6

About 1-methoxy-2,4-dimethyl-5-methylsulfanylpentane

1-methoxy-2,4-dimethyl-5-methylsulfanylpentane (PubChem CID 89091081) has the molecular formula C9H20OS and a molecular weight of 176.32 g/mol. Its IUPAC name is 1-methoxy-2,4-dimethyl-5-methylsulfanylpentane.

Molecular Properties

Compound Name1-methoxy-2,4-dimethyl-5-methylsulfanylpentane
PubChem CID89091081
Molecular FormulaC9H20OS
Molecular Weight176.32 g/mol
Exact Mass176.12
IUPAC Name1-methoxy-2,4-dimethyl-5-methylsulfanylpentane
SMILESCOCC(C)CC(C)CSC
InChIInChI=1S/C9H20OS/c1-8(6-10-3)5-9(2)7-11-4/h8-9H,5-7H2,1-4H3
InChIKeyMAEPNDDIABCTNJ-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

S-(1-methoxy-4-methylpentan-3-yl) ethanethioate
CID 12009854
O-(3-methylbutyl) 3-methylbutylsulfanylmethanethioate
CID 13441495
4,4-Dimethyl-2-pentan-2-yl-1,3-oxathiane
CID 18539823
5-(3-Methoxypropyl)-1,3-dithiane
CID 23386518
3-(2-Methylpropyl)-1,4-oxathiane
CID 57260593
3-(Ethoxymethylsulfanylmethyl)-2,4-dimethylpentane
CID 58165100
4-Propan-2-yl-1,3-oxathiane
CID 58473800
2-(4-Methylpentoxy)ethanethiol
CID 80026997
1-Methoxy-2,4-dimethyl-3-methylsulfanylpentane
CID 87313981
4,6-Dimethyl-1,3-oxathiepane
CID 89269150
1-Methoxy-3-methyl-2-methylsulfanylbutane
CID 90861803
3-(3-Methylsulfanylpropoxymethyl)heptane
CID 91513755

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,4-dimethyl-5-methylsulfanylpentane?
The IUPAC name of 1-methoxy-2,4-dimethyl-5-methylsulfanylpentane (CID 89091081) is 1-methoxy-2,4-dimethyl-5-methylsulfanylpentane.
What is the SMILES notation for 1-methoxy-2,4-dimethyl-5-methylsulfanylpentane?
The canonical SMILES for 1-methoxy-2,4-dimethyl-5-methylsulfanylpentane is COCC(C)CC(C)CSC.
What is the InChIKey of 1-methoxy-2,4-dimethyl-5-methylsulfanylpentane?
The InChIKey is MAEPNDDIABCTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS/c1-8(6-10-3)5-9(2)7-11-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-methoxy-2,4-dimethyl-5-methylsulfanylpentane?
1-methoxy-2,4-dimethyl-5-methylsulfanylpentane has a molecular weight of 176.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,4-dimethyl-5-methylsulfanylpentane is sourced from PubChem (CID 89091081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).