4-tert-butylsulfanylbut-3-en-2-ol

C8H16OS — CID 71413943

IUPAC4-tert-butylsulfanylbut-3-en-2-ol
SMILESCC(O)C=CSC(C)(C)C
InChIInChI=1S/C8H16OS/c1-7(9)5-6-10-8(2,3)4/h5-7,9H,1-4H3
InChIKeyDYKMBCBFWKRLGB-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.41
Rot. Bonds2

About 4-tert-butylsulfanylbut-3-en-2-ol

4-tert-butylsulfanylbut-3-en-2-ol (PubChem CID 71413943) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 4-tert-butylsulfanylbut-3-en-2-ol.

Molecular Properties

Compound Name4-tert-butylsulfanylbut-3-en-2-ol
PubChem CID71413943
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name4-tert-butylsulfanylbut-3-en-2-ol
SMILESCC(O)C=CSC(C)(C)C
InChIInChI=1S/C8H16OS/c1-7(9)5-6-10-8(2,3)4/h5-7,9H,1-4H3
InChIKeyDYKMBCBFWKRLGB-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanylbut-3-en-2-ol?
The IUPAC name of 4-tert-butylsulfanylbut-3-en-2-ol (CID 71413943) is 4-tert-butylsulfanylbut-3-en-2-ol.
What is the SMILES notation for 4-tert-butylsulfanylbut-3-en-2-ol?
The canonical SMILES for 4-tert-butylsulfanylbut-3-en-2-ol is CC(O)C=CSC(C)(C)C.
What is the InChIKey of 4-tert-butylsulfanylbut-3-en-2-ol?
The InChIKey is DYKMBCBFWKRLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(9)5-6-10-8(2,3)4/h5-7,9H,1-4H3.
What are the key properties of 4-tert-butylsulfanylbut-3-en-2-ol?
4-tert-butylsulfanylbut-3-en-2-ol has a molecular weight of 160.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanylbut-3-en-2-ol is sourced from PubChem (CID 71413943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).