formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene

C15H20O3S — CID 177149849

IUPACformic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene
SMILESC/C=C(\SC(OC)=C(C)C)c1ccccc1.O=CO
InChIInChI=1S/C14H18OS.CH2O2/c1-5-13(12-9-7-6-8-10-12)16-14(15-4)11(2)3;2-1-3/h5-10H,1-4H3;1H,(H,2,3)/b13-5-;
InChIKeyKWVNUGYFQFHDCF-UCHKSFBOSA-N
MW280.39 g/mol
LogP4.38
Rot. Bonds4

About formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene

formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene (PubChem CID 177149849) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene.

Molecular Properties

Compound Nameformic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene
PubChem CID177149849
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Nameformic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene
SMILESC/C=C(\SC(OC)=C(C)C)c1ccccc1.O=CO
InChIInChI=1S/C14H18OS.CH2O2/c1-5-13(12-9-7-6-8-10-12)16-14(15-4)11(2)3;2-1-3/h5-10H,1-4H3;1H,(H,2,3)/b13-5-;
InChIKeyKWVNUGYFQFHDCF-UCHKSFBOSA-N
XLogP4.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene?
The IUPAC name of formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene (CID 177149849) is formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene.
What is the SMILES notation for formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene?
The canonical SMILES for formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene is C/C=C(\SC(OC)=C(C)C)c1ccccc1.O=CO.
What is the InChIKey of formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene?
The InChIKey is KWVNUGYFQFHDCF-UCHKSFBOSA-N. The full InChI is InChI=1S/C14H18OS.CH2O2/c1-5-13(12-9-7-6-8-10-12)16-14(15-4)11(2)3;2-1-3/h5-10H,1-4H3;1H,(H,2,3)/b13-5-;.
What are the key properties of formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene?
formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene has a molecular weight of 280.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;[(Z)-1-(1-methoxy-2-methylprop-1-enyl)sulfanylprop-1-enyl]benzene is sourced from PubChem (CID 177149849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).