(2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol

C8H12OS — CID 172605601

IUPAC(2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol
SMILESC=C/C(CO)=C(\C=C)SC
InChIInChI=1S/C8H12OS/c1-4-7(6-9)8(5-2)10-3/h4-5,9H,1-2,6H2,3H3/b8-7-
InChIKeyGXFWHQMMFMCGNM-FPLPWBNLSA-N
MW156.25 g/mol
LogP1.97
Rot. Bonds4

About (2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol

(2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol (PubChem CID 172605601) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is (2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol
PubChem CID172605601
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name(2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol
SMILESC=C/C(CO)=C(\C=C)SC
InChIInChI=1S/C8H12OS/c1-4-7(6-9)8(5-2)10-3/h4-5,9H,1-2,6H2,3H3/b8-7-
InChIKeyGXFWHQMMFMCGNM-FPLPWBNLSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol?
The IUPAC name of (2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol (CID 172605601) is (2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol?
The canonical SMILES for (2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol is C=C/C(CO)=C(\C=C)SC.
What is the InChIKey of (2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol?
The InChIKey is GXFWHQMMFMCGNM-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H12OS/c1-4-7(6-9)8(5-2)10-3/h4-5,9H,1-2,6H2,3H3/b8-7-.
What are the key properties of (2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol?
(2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol has a molecular weight of 156.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-3-methylsulfanylpenta-2,4-dien-1-ol is sourced from PubChem (CID 172605601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).