2,4-dimethyl-3-methylsulfanylpentan-2-ol

C8H18OS — CID 76796092

IUPAC2,4-dimethyl-3-methylsulfanylpentan-2-ol
SMILESCSC(C(C)C)C(C)(C)O
InChIInChI=1S/C8H18OS/c1-6(2)7(10-5)8(3,4)9/h6-7,9H,1-5H3
InChIKeyBSJWZMODBKZMBB-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.14
Rot. Bonds3

About 2,4-dimethyl-3-methylsulfanylpentan-2-ol

2,4-dimethyl-3-methylsulfanylpentan-2-ol (PubChem CID 76796092) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 2,4-dimethyl-3-methylsulfanylpentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-3-methylsulfanylpentan-2-ol
PubChem CID76796092
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name2,4-dimethyl-3-methylsulfanylpentan-2-ol
SMILESCSC(C(C)C)C(C)(C)O
InChIInChI=1S/C8H18OS/c1-6(2)7(10-5)8(3,4)9/h6-7,9H,1-5H3
InChIKeyBSJWZMODBKZMBB-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-methylsulfanylpentan-2-ol?
The IUPAC name of 2,4-dimethyl-3-methylsulfanylpentan-2-ol (CID 76796092) is 2,4-dimethyl-3-methylsulfanylpentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-3-methylsulfanylpentan-2-ol?
The canonical SMILES for 2,4-dimethyl-3-methylsulfanylpentan-2-ol is CSC(C(C)C)C(C)(C)O.
What is the InChIKey of 2,4-dimethyl-3-methylsulfanylpentan-2-ol?
The InChIKey is BSJWZMODBKZMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-6(2)7(10-5)8(3,4)9/h6-7,9H,1-5H3.
What are the key properties of 2,4-dimethyl-3-methylsulfanylpentan-2-ol?
2,4-dimethyl-3-methylsulfanylpentan-2-ol has a molecular weight of 162.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-methylsulfanylpentan-2-ol is sourced from PubChem (CID 76796092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).