2-but-3-enyl-2-prop-2-enyl-1,3-dithiane

C11H18S2 — CID 11206677

IUPAC2-but-3-enyl-2-prop-2-enyl-1,3-dithiane
SMILESC=CCCC1(CC=C)SCCCS1
InChIInChI=1S/C11H18S2/c1-3-5-8-11(7-4-2)12-9-6-10-13-11/h3-4H,1-2,5-10H2
InChIKeyTYDZIDKKSIWJHM-UHFFFAOYSA-N
MW214.40 g/mol
LogP4.10
Rot. Bonds5

About 2-but-3-enyl-2-prop-2-enyl-1,3-dithiane

2-but-3-enyl-2-prop-2-enyl-1,3-dithiane (PubChem CID 11206677) has the molecular formula C11H18S2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-but-3-enyl-2-prop-2-enyl-1,3-dithiane.

Molecular Properties

Compound Name2-but-3-enyl-2-prop-2-enyl-1,3-dithiane
PubChem CID11206677
Molecular FormulaC11H18S2
Molecular Weight214.40 g/mol
Exact Mass214.08
IUPAC Name2-but-3-enyl-2-prop-2-enyl-1,3-dithiane
SMILESC=CCCC1(CC=C)SCCCS1
InChIInChI=1S/C11H18S2/c1-3-5-8-11(7-4-2)12-9-6-10-13-11/h3-4H,1-2,5-10H2
InChIKeyTYDZIDKKSIWJHM-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-but-3-enyl-2-prop-2-enyl-1,3-dithiane 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 2-but-3-enyl-2-prop-2-enyl-1,3-dithiane?
The IUPAC name of 2-but-3-enyl-2-prop-2-enyl-1,3-dithiane (CID 11206677) is 2-but-3-enyl-2-prop-2-enyl-1,3-dithiane.
What is the SMILES notation for 2-but-3-enyl-2-prop-2-enyl-1,3-dithiane?
The canonical SMILES for 2-but-3-enyl-2-prop-2-enyl-1,3-dithiane is C=CCCC1(CC=C)SCCCS1.
What is the InChIKey of 2-but-3-enyl-2-prop-2-enyl-1,3-dithiane?
The InChIKey is TYDZIDKKSIWJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S2/c1-3-5-8-11(7-4-2)12-9-6-10-13-11/h3-4H,1-2,5-10H2.
What are the key properties of 2-but-3-enyl-2-prop-2-enyl-1,3-dithiane?
2-but-3-enyl-2-prop-2-enyl-1,3-dithiane has a molecular weight of 214.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-2-prop-2-enyl-1,3-dithiane is sourced from PubChem (CID 11206677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).