(3E)-5-propan-2-ylsulfanylpenta-1,3-diene

C8H14S — CID 134211962

IUPAC(3E)-5-propan-2-ylsulfanylpenta-1,3-diene
SMILESC=C/C=C/CSC(C)C
InChIInChI=1S/C8H14S/c1-4-5-6-7-9-8(2)3/h4-6,8H,1,7H2,2-3H3/b6-5+
InChIKeyUJDBCQJEGUNYCC-AATRIKPKSA-N
MW142.27 g/mol
LogP2.87
Rot. Bonds4

About (3E)-5-propan-2-ylsulfanylpenta-1,3-diene

(3E)-5-propan-2-ylsulfanylpenta-1,3-diene (PubChem CID 134211962) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is (3E)-5-propan-2-ylsulfanylpenta-1,3-diene.

Molecular Properties

Compound Name(3E)-5-propan-2-ylsulfanylpenta-1,3-diene
PubChem CID134211962
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name(3E)-5-propan-2-ylsulfanylpenta-1,3-diene
SMILESC=C/C=C/CSC(C)C
InChIInChI=1S/C8H14S/c1-4-5-6-7-9-8(2)3/h4-6,8H,1,7H2,2-3H3/b6-5+
InChIKeyUJDBCQJEGUNYCC-AATRIKPKSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.87
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)-5-propan-2-ylsulfanylpenta-1,3-diene?
The IUPAC name of (3E)-5-propan-2-ylsulfanylpenta-1,3-diene (CID 134211962) is (3E)-5-propan-2-ylsulfanylpenta-1,3-diene.
What is the SMILES notation for (3E)-5-propan-2-ylsulfanylpenta-1,3-diene?
The canonical SMILES for (3E)-5-propan-2-ylsulfanylpenta-1,3-diene is C=C/C=C/CSC(C)C.
What is the InChIKey of (3E)-5-propan-2-ylsulfanylpenta-1,3-diene?
The InChIKey is UJDBCQJEGUNYCC-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14S/c1-4-5-6-7-9-8(2)3/h4-6,8H,1,7H2,2-3H3/b6-5+.
What are the key properties of (3E)-5-propan-2-ylsulfanylpenta-1,3-diene?
(3E)-5-propan-2-ylsulfanylpenta-1,3-diene has a molecular weight of 142.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-propan-2-ylsulfanylpenta-1,3-diene is sourced from PubChem (CID 134211962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).