4,5-bis(ethenyl)-4-propan-2-yldithiane

C11H18S2 — CID 169266946

IUPAC4,5-bis(ethenyl)-4-propan-2-yldithiane
SMILESC=CC1CSSCC1(C=C)C(C)C
InChIInChI=1S/C11H18S2/c1-5-10-7-12-13-8-11(10,6-2)9(3)4/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyOMJDNPICXYKNSW-UHFFFAOYSA-N
MW214.40 g/mol
LogP4.01
Rot. Bonds3

About 4,5-bis(ethenyl)-4-propan-2-yldithiane

4,5-bis(ethenyl)-4-propan-2-yldithiane (PubChem CID 169266946) has the molecular formula C11H18S2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-4-propan-2-yldithiane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-4-propan-2-yldithiane
PubChem CID169266946
Molecular FormulaC11H18S2
Molecular Weight214.40 g/mol
Exact Mass214.08
IUPAC Name4,5-bis(ethenyl)-4-propan-2-yldithiane
SMILESC=CC1CSSCC1(C=C)C(C)C
InChIInChI=1S/C11H18S2/c1-5-10-7-12-13-8-11(10,6-2)9(3)4/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyOMJDNPICXYKNSW-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-4-propan-2-yldithiane?
The IUPAC name of 4,5-bis(ethenyl)-4-propan-2-yldithiane (CID 169266946) is 4,5-bis(ethenyl)-4-propan-2-yldithiane.
What is the SMILES notation for 4,5-bis(ethenyl)-4-propan-2-yldithiane?
The canonical SMILES for 4,5-bis(ethenyl)-4-propan-2-yldithiane is C=CC1CSSCC1(C=C)C(C)C.
What is the InChIKey of 4,5-bis(ethenyl)-4-propan-2-yldithiane?
The InChIKey is OMJDNPICXYKNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S2/c1-5-10-7-12-13-8-11(10,6-2)9(3)4/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of 4,5-bis(ethenyl)-4-propan-2-yldithiane?
4,5-bis(ethenyl)-4-propan-2-yldithiane has a molecular weight of 214.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-4-propan-2-yldithiane is sourced from PubChem (CID 169266946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).