(3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene

C10H16OS — CID 89224812

IUPAC(3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene
SMILESC=C(/C=C\C=C/C)CS(=O)CC
InChIInChI=1S/C10H16OS/c1-4-6-7-8-10(3)9-12(11)5-2/h4,6-8H,3,5,9H2,1-2H3/b6-4-,8-7-
InChIKeyVZXAMPMVTZUBPN-MOIRPGTBSA-N
MW184.30 g/mol
LogP2.44
Rot. Bonds5

About (3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene

(3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene (PubChem CID 89224812) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is (3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene
PubChem CID89224812
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name(3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene
SMILESC=C(/C=C\C=C/C)CS(=O)CC
InChIInChI=1S/C10H16OS/c1-4-6-7-8-10(3)9-12(11)5-2/h4,6-8H,3,5,9H2,1-2H3/b6-4-,8-7-
InChIKeyVZXAMPMVTZUBPN-MOIRPGTBSA-N
XLogP2.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene (CID 89224812) is (3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene is C=C(/C=C\C=C/C)CS(=O)CC.
What is the InChIKey of (3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene?
The InChIKey is VZXAMPMVTZUBPN-MOIRPGTBSA-N. The full InChI is InChI=1S/C10H16OS/c1-4-6-7-8-10(3)9-12(11)5-2/h4,6-8H,3,5,9H2,1-2H3/b6-4-,8-7-.
What are the key properties of (3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene?
(3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene has a molecular weight of 184.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-(ethylsulfinylmethyl)hepta-1,3,5-triene is sourced from PubChem (CID 89224812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).