(Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol

C9H18OS — CID 12529794

IUPAC(Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol
SMILESCC(C)(O)/C=C\SC(C)(C)C
InChIInChI=1S/C9H18OS/c1-8(2,3)11-7-6-9(4,5)10/h6-7,10H,1-5H3/b7-6-
InChIKeyZZABVAGKNGXHDR-SREVYHEPSA-N
MW174.31 g/mol
LogP2.80
Rot. Bonds2

About (Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol

(Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol (PubChem CID 12529794) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is (Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol
PubChem CID12529794
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name(Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol
SMILESCC(C)(O)/C=C\SC(C)(C)C
InChIInChI=1S/C9H18OS/c1-8(2,3)11-7-6-9(4,5)10/h6-7,10H,1-5H3/b7-6-
InChIKeyZZABVAGKNGXHDR-SREVYHEPSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol?
The IUPAC name of (Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol (CID 12529794) is (Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol.
What is the SMILES notation for (Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol?
The canonical SMILES for (Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol is CC(C)(O)/C=C\SC(C)(C)C.
What is the InChIKey of (Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol?
The InChIKey is ZZABVAGKNGXHDR-SREVYHEPSA-N. The full InChI is InChI=1S/C9H18OS/c1-8(2,3)11-7-6-9(4,5)10/h6-7,10H,1-5H3/b7-6-.
What are the key properties of (Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol?
(Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol has a molecular weight of 174.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-tert-butylsulfanyl-2-methylbut-3-en-2-ol is sourced from PubChem (CID 12529794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).