(E)-3-methyl-6-propylsulfanylhex-2-ene

C10H20S — CID 173027047

IUPAC(E)-3-methyl-6-propylsulfanylhex-2-ene
SMILESC/C=C(\C)CCCSCCC
InChIInChI=1S/C10H20S/c1-4-8-11-9-6-7-10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5+
InChIKeyBBHUWNDNWIQXIX-BJMVGYQFSA-N
MW172.34 g/mol
LogP3.88
Rot. Bonds6

About (E)-3-methyl-6-propylsulfanylhex-2-ene

(E)-3-methyl-6-propylsulfanylhex-2-ene (PubChem CID 173027047) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is (E)-3-methyl-6-propylsulfanylhex-2-ene.

Molecular Properties

Compound Name(E)-3-methyl-6-propylsulfanylhex-2-ene
PubChem CID173027047
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(E)-3-methyl-6-propylsulfanylhex-2-ene
SMILESC/C=C(\C)CCCSCCC
InChIInChI=1S/C10H20S/c1-4-8-11-9-6-7-10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5+
InChIKeyBBHUWNDNWIQXIX-BJMVGYQFSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-methyl-6-propylsulfanylhex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-6-propylsulfanylhex-2-ene?
The IUPAC name of (E)-3-methyl-6-propylsulfanylhex-2-ene (CID 173027047) is (E)-3-methyl-6-propylsulfanylhex-2-ene.
What is the SMILES notation for (E)-3-methyl-6-propylsulfanylhex-2-ene?
The canonical SMILES for (E)-3-methyl-6-propylsulfanylhex-2-ene is C/C=C(\C)CCCSCCC.
What is the InChIKey of (E)-3-methyl-6-propylsulfanylhex-2-ene?
The InChIKey is BBHUWNDNWIQXIX-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H20S/c1-4-8-11-9-6-7-10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5+.
What are the key properties of (E)-3-methyl-6-propylsulfanylhex-2-ene?
(E)-3-methyl-6-propylsulfanylhex-2-ene has a molecular weight of 172.34 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-6-propylsulfanylhex-2-ene is sourced from PubChem (CID 173027047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).