3-ethylsulfanyl-2,4-dimethylpentan-2-ol

C9H20OS — CID 76795835

IUPAC3-ethylsulfanyl-2,4-dimethylpentan-2-ol
SMILESCCSC(C(C)C)C(C)(C)O
InChIInChI=1S/C9H20OS/c1-6-11-8(7(2)3)9(4,5)10/h7-8,10H,6H2,1-5H3
InChIKeyCQOMGZOXEOJBGX-UHFFFAOYSA-N
MW176.32 g/mol
LogP2.54
Rot. Bonds4

About 3-ethylsulfanyl-2,4-dimethylpentan-2-ol

3-ethylsulfanyl-2,4-dimethylpentan-2-ol (PubChem CID 76795835) has the molecular formula C9H20OS and a molecular weight of 176.32 g/mol. Its IUPAC name is 3-ethylsulfanyl-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name3-ethylsulfanyl-2,4-dimethylpentan-2-ol
PubChem CID76795835
Molecular FormulaC9H20OS
Molecular Weight176.32 g/mol
Exact Mass176.12
IUPAC Name3-ethylsulfanyl-2,4-dimethylpentan-2-ol
SMILESCCSC(C(C)C)C(C)(C)O
InChIInChI=1S/C9H20OS/c1-6-11-8(7(2)3)9(4,5)10/h7-8,10H,6H2,1-5H3
InChIKeyCQOMGZOXEOJBGX-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2,4-dimethylpentan-2-ol?
The IUPAC name of 3-ethylsulfanyl-2,4-dimethylpentan-2-ol (CID 76795835) is 3-ethylsulfanyl-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 3-ethylsulfanyl-2,4-dimethylpentan-2-ol?
The canonical SMILES for 3-ethylsulfanyl-2,4-dimethylpentan-2-ol is CCSC(C(C)C)C(C)(C)O.
What is the InChIKey of 3-ethylsulfanyl-2,4-dimethylpentan-2-ol?
The InChIKey is CQOMGZOXEOJBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS/c1-6-11-8(7(2)3)9(4,5)10/h7-8,10H,6H2,1-5H3.
What are the key properties of 3-ethylsulfanyl-2,4-dimethylpentan-2-ol?
3-ethylsulfanyl-2,4-dimethylpentan-2-ol has a molecular weight of 176.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 76795835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).