(E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol

C8H16OS — CID 13331389

IUPAC(E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol
SMILESCCC(C)(C)S/C=C/CO
InChIInChI=1S/C8H16OS/c1-4-8(2,3)10-7-5-6-9/h5,7,9H,4,6H2,1-3H3/b7-5+
InChIKeyDOJOVYARZXRWHE-FNORWQNLSA-N
MW160.28 g/mol
LogP2.41
Rot. Bonds4

About (E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol

(E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol (PubChem CID 13331389) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol
PubChem CID13331389
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol
SMILESCCC(C)(C)S/C=C/CO
InChIInChI=1S/C8H16OS/c1-4-8(2,3)10-7-5-6-9/h5,7,9H,4,6H2,1-3H3/b7-5+
InChIKeyDOJOVYARZXRWHE-FNORWQNLSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

(Z)-3-ethylsulfanylprop-2-en-1-ol
CID 13331392
(Z)-3-propylsulfanylprop-2-en-1-ol
CID 13331394
(Z)-3-butan-2-ylsulfanylprop-2-en-1-ol
CID 13331400
(Z)-3-pentylsulfanylprop-2-en-1-ol
CID 13331402
(Z)-3-butylsulfanylprop-2-en-1-ol
CID 15575902
(Z)-3-tert-butylsulfanylprop-2-en-1-ol
CID 15575904
(Z)-4-tert-butylsulfanylbut-3-en-2-ol
CID 15575908
(R,E)-4-(tert-butylthio)-3-buten-2-ol
CID 15575909
(2R)-4-tert-butylsulfanylbut-3-en-2-ol
CID 53785793
3-Hexylthio-2-propenol
CID 54232710
3-(3,3-Dimethylbutylsulfanyl)prop-2-en-1-ol
CID 54498857
3-Butylsulfanylprop-2-en-1-ol
CID 73198553

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol (CID 13331389) is (E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol is CCC(C)(C)S/C=C/CO.
What is the InChIKey of (E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol?
The InChIKey is DOJOVYARZXRWHE-FNORWQNLSA-N. The full InChI is InChI=1S/C8H16OS/c1-4-8(2,3)10-7-5-6-9/h5,7,9H,4,6H2,1-3H3/b7-5+.
What are the key properties of (E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol?
(E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol has a molecular weight of 160.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol is sourced from PubChem (CID 13331389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).