(3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol

C8H18O2S — CID 58469169

IUPAC(3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol
SMILESCC(C)[C@H](S(C)=O)C(C)(C)O
InChIInChI=1S/C8H18O2S/c1-6(2)7(11(5)10)8(3,4)9/h6-7,9H,1-5H3/t7-,11?/m0/s1
InChIKeySQOSJWWOZWJQTB-RGENBBCFSA-N
MW178.30 g/mol
LogP1.16
Rot. Bonds3

About (3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol

(3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol (PubChem CID 58469169) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is (3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol.

Molecular Properties

Compound Name(3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol
PubChem CID58469169
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name(3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol
SMILESCC(C)[C@H](S(C)=O)C(C)(C)O
InChIInChI=1S/C8H18O2S/c1-6(2)7(11(5)10)8(3,4)9/h6-7,9H,1-5H3/t7-,11?/m0/s1
InChIKeySQOSJWWOZWJQTB-RGENBBCFSA-N
XLogP1.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol?
The IUPAC name of (3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol (CID 58469169) is (3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol.
What is the SMILES notation for (3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol?
The canonical SMILES for (3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol is CC(C)[C@H](S(C)=O)C(C)(C)O.
What is the InChIKey of (3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol?
The InChIKey is SQOSJWWOZWJQTB-RGENBBCFSA-N. The full InChI is InChI=1S/C8H18O2S/c1-6(2)7(11(5)10)8(3,4)9/h6-7,9H,1-5H3/t7-,11?/m0/s1.
What are the key properties of (3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol?
(3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol has a molecular weight of 178.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol is sourced from PubChem (CID 58469169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).