1-methoxy-2,4-dimethyl-3-methylsulfanylpentane

C9H20OS — CID 87313981

IUPAC1-methoxy-2,4-dimethyl-3-methylsulfanylpentane
SMILESCOCC(C)C(SC)C(C)C
InChIInChI=1S/C9H20OS/c1-7(2)9(11-5)8(3)6-10-4/h7-9H,6H2,1-5H3
InChIKeyFAIAKQRTUSPVRO-UHFFFAOYSA-N
MW176.32 g/mol
LogP2.66
Rot. Bonds5

About 1-methoxy-2,4-dimethyl-3-methylsulfanylpentane

1-methoxy-2,4-dimethyl-3-methylsulfanylpentane (PubChem CID 87313981) has the molecular formula C9H20OS and a molecular weight of 176.32 g/mol. Its IUPAC name is 1-methoxy-2,4-dimethyl-3-methylsulfanylpentane.

Molecular Properties

Compound Name1-methoxy-2,4-dimethyl-3-methylsulfanylpentane
PubChem CID87313981
Molecular FormulaC9H20OS
Molecular Weight176.32 g/mol
Exact Mass176.12
IUPAC Name1-methoxy-2,4-dimethyl-3-methylsulfanylpentane
SMILESCOCC(C)C(SC)C(C)C
InChIInChI=1S/C9H20OS/c1-7(2)9(11-5)8(3)6-10-4/h7-9H,6H2,1-5H3
InChIKeyFAIAKQRTUSPVRO-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,4-dimethyl-3-methylsulfanylpentane?
The IUPAC name of 1-methoxy-2,4-dimethyl-3-methylsulfanylpentane (CID 87313981) is 1-methoxy-2,4-dimethyl-3-methylsulfanylpentane.
What is the SMILES notation for 1-methoxy-2,4-dimethyl-3-methylsulfanylpentane?
The canonical SMILES for 1-methoxy-2,4-dimethyl-3-methylsulfanylpentane is COCC(C)C(SC)C(C)C.
What is the InChIKey of 1-methoxy-2,4-dimethyl-3-methylsulfanylpentane?
The InChIKey is FAIAKQRTUSPVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS/c1-7(2)9(11-5)8(3)6-10-4/h7-9H,6H2,1-5H3.
What are the key properties of 1-methoxy-2,4-dimethyl-3-methylsulfanylpentane?
1-methoxy-2,4-dimethyl-3-methylsulfanylpentane has a molecular weight of 176.32 g/mol, XLogP of 2.66, 5 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-3-methylsulfanylpentane is sourced from PubChem (CID 87313981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).