(1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene

C10H14S — CID 142115347

IUPAC(1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene
SMILESC=C(C)S/C=C/C=C\C=C/C
InChIInChI=1S/C10H14S/c1-4-5-6-7-8-9-11-10(2)3/h4-9H,2H2,1,3H3/b5-4-,7-6-,9-8+
InChIKeyHKELCBOTWNECFR-JCBGPSFGSA-N
MW166.29 g/mol
LogP3.90
Rot. Bonds4

About (1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene

(1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene (PubChem CID 142115347) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is (1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene
PubChem CID142115347
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name(1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene
SMILESC=C(C)S/C=C/C=C\C=C/C
InChIInChI=1S/C10H14S/c1-4-5-6-7-8-9-11-10(2)3/h4-9H,2H2,1,3H3/b5-4-,7-6-,9-8+
InChIKeyHKELCBOTWNECFR-JCBGPSFGSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.90
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 (1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene (CID 142115347) is (1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene is C=C(C)S/C=C/C=C\C=C/C.
What is the InChIKey of (1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene?
The InChIKey is HKELCBOTWNECFR-JCBGPSFGSA-N. The full InChI is InChI=1S/C10H14S/c1-4-5-6-7-8-9-11-10(2)3/h4-9H,2H2,1,3H3/b5-4-,7-6-,9-8+.
What are the key properties of (1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene?
(1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene has a molecular weight of 166.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-1-prop-1-en-2-ylsulfanylhepta-1,3,5-triene is sourced from PubChem (CID 142115347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).