2-ethyl-2-pent-4-enyl-1,3-dithiane

C11H20S2 — CID 14783960

IUPAC2-ethyl-2-pent-4-enyl-1,3-dithiane
SMILESC=CCCCC1(CC)SCCCS1
InChIInChI=1S/C11H20S2/c1-3-5-6-8-11(4-2)12-9-7-10-13-11/h3H,1,4-10H2,2H3
InChIKeyUIPXGEQBDNQJDF-UHFFFAOYSA-N
MW216.41 g/mol
LogP4.32
Rot. Bonds5

About 2-ethyl-2-pent-4-enyl-1,3-dithiane

2-ethyl-2-pent-4-enyl-1,3-dithiane (PubChem CID 14783960) has the molecular formula C11H20S2 and a molecular weight of 216.41 g/mol. Its IUPAC name is 2-ethyl-2-pent-4-enyl-1,3-dithiane.

Molecular Properties

Compound Name2-ethyl-2-pent-4-enyl-1,3-dithiane
PubChem CID14783960
Molecular FormulaC11H20S2
Molecular Weight216.41 g/mol
Exact Mass216.10
IUPAC Name2-ethyl-2-pent-4-enyl-1,3-dithiane
SMILESC=CCCCC1(CC)SCCCS1
InChIInChI=1S/C11H20S2/c1-3-5-6-8-11(4-2)12-9-7-10-13-11/h3H,1,4-10H2,2H3
InChIKeyUIPXGEQBDNQJDF-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-pent-4-enyl-1,3-dithiane?
The IUPAC name of 2-ethyl-2-pent-4-enyl-1,3-dithiane (CID 14783960) is 2-ethyl-2-pent-4-enyl-1,3-dithiane.
What is the SMILES notation for 2-ethyl-2-pent-4-enyl-1,3-dithiane?
The canonical SMILES for 2-ethyl-2-pent-4-enyl-1,3-dithiane is C=CCCCC1(CC)SCCCS1.
What is the InChIKey of 2-ethyl-2-pent-4-enyl-1,3-dithiane?
The InChIKey is UIPXGEQBDNQJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S2/c1-3-5-6-8-11(4-2)12-9-7-10-13-11/h3H,1,4-10H2,2H3.
What are the key properties of 2-ethyl-2-pent-4-enyl-1,3-dithiane?
2-ethyl-2-pent-4-enyl-1,3-dithiane has a molecular weight of 216.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-pent-4-enyl-1,3-dithiane is sourced from PubChem (CID 14783960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).