(3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene

C11H18S — CID 89288995

IUPAC(3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene
SMILESC=C/C=C(SC(C)C)\C(C)=C/C
InChIInChI=1S/C11H18S/c1-6-8-11(10(5)7-2)12-9(3)4/h6-9H,1H2,2-5H3/b10-7-,11-8+
InChIKeyILQLIWNBFXXWDV-BDLVGCLISA-N
MW182.33 g/mol
LogP4.16
Rot. Bonds4

About (3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene

(3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene (PubChem CID 89288995) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is (3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene
PubChem CID89288995
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name(3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene
SMILESC=C/C=C(SC(C)C)\C(C)=C/C
InChIInChI=1S/C11H18S/c1-6-8-11(10(5)7-2)12-9(3)4/h6-9H,1H2,2-5H3/b10-7-,11-8+
InChIKeyILQLIWNBFXXWDV-BDLVGCLISA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.16
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 (3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene (CID 89288995) is (3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene is C=C/C=C(SC(C)C)\C(C)=C/C.
What is the InChIKey of (3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene?
The InChIKey is ILQLIWNBFXXWDV-BDLVGCLISA-N. The full InChI is InChI=1S/C11H18S/c1-6-8-11(10(5)7-2)12-9(3)4/h6-9H,1H2,2-5H3/b10-7-,11-8+.
What are the key properties of (3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene?
(3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene has a molecular weight of 182.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-methyl-4-propan-2-ylsulfanylhepta-1,3,5-triene is sourced from PubChem (CID 89288995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).