(E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol

C8H14O2S — CID 13042452

IUPAC(E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol
SMILESCC(O)/C=C/S/C=C/C(C)O
InChIInChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-10H,1-2H3/b5-3+,6-4+
InChIKeyLHWAUUWPKFTTMR-GGWOSOGESA-N
MW174.27 g/mol
LogP1.51
Rot. Bonds4

About (E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol

(E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol (PubChem CID 13042452) has the molecular formula C8H14O2S and a molecular weight of 174.27 g/mol. Its IUPAC name is (E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol
PubChem CID13042452
Molecular FormulaC8H14O2S
Molecular Weight174.27 g/mol
Exact Mass174.07
IUPAC Name(E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol
SMILESCC(O)/C=C/S/C=C/C(C)O
InChIInChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-10H,1-2H3/b5-3+,6-4+
InChIKeyLHWAUUWPKFTTMR-GGWOSOGESA-N
XLogP1.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol?
The IUPAC name of (E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol (CID 13042452) is (E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol?
The canonical SMILES for (E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol is CC(O)/C=C/S/C=C/C(C)O.
What is the InChIKey of (E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol?
The InChIKey is LHWAUUWPKFTTMR-GGWOSOGESA-N. The full InChI is InChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-10H,1-2H3/b5-3+,6-4+.
What are the key properties of (E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol?
(E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol has a molecular weight of 174.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(E)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol is sourced from PubChem (CID 13042452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).