2-(3-ethenoxypropyl)-1,4-dithiane

C9H16OS2 — CID 176603259

IUPAC2-(3-ethenoxypropyl)-1,4-dithiane
SMILESC=COCCCC1CSCCS1
InChIInChI=1S/C9H16OS2/c1-2-10-5-3-4-9-8-11-6-7-12-9/h2,9H,1,3-8H2
InChIKeyGSAJLBIHDKBVEP-UHFFFAOYSA-N
MW204.36 g/mol
LogP2.78
Rot. Bonds5

About 2-(3-ethenoxypropyl)-1,4-dithiane

2-(3-ethenoxypropyl)-1,4-dithiane (PubChem CID 176603259) has the molecular formula C9H16OS2 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)-1,4-dithiane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)-1,4-dithiane
PubChem CID176603259
Molecular FormulaC9H16OS2
Molecular Weight204.36 g/mol
Exact Mass204.06
IUPAC Name2-(3-ethenoxypropyl)-1,4-dithiane
SMILESC=COCCCC1CSCCS1
InChIInChI=1S/C9H16OS2/c1-2-10-5-3-4-9-8-11-6-7-12-9/h2,9H,1,3-8H2
InChIKeyGSAJLBIHDKBVEP-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(E)-prop-1-enoxy]propyl]thiirane
CID 176604691
8-(1,4-dithian-2-yl)octanoic acid
CID 90809233
2-(chloromethyl)-1,4-dithiane
CID 14743132
1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
2-(3-ethenoxypropyl)thiirane 1,1-dioxide
CID 176603438
N-(1,4-dithian-2-ylmethyl)hept-6-en-1-amine
CID 107007143
2-(1,4-dithian-2-ylmethylsulfanyl)ethyl prop-2-enoate
CID 154311936
2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603325
1-(3-ethenoxypropyl)-3-methylcyclopentane
CID 89364785
3-(3-ethenoxypropyl)oxane
CID 176603417
1,4-bis(ethenoxy)butane;butane
CID 158192522

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)-1,4-dithiane?
The IUPAC name of 2-(3-ethenoxypropyl)-1,4-dithiane (CID 176603259) is 2-(3-ethenoxypropyl)-1,4-dithiane.
What is the SMILES notation for 2-(3-ethenoxypropyl)-1,4-dithiane?
The canonical SMILES for 2-(3-ethenoxypropyl)-1,4-dithiane is C=COCCCC1CSCCS1.
What is the InChIKey of 2-(3-ethenoxypropyl)-1,4-dithiane?
The InChIKey is GSAJLBIHDKBVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS2/c1-2-10-5-3-4-9-8-11-6-7-12-9/h2,9H,1,3-8H2.
What are the key properties of 2-(3-ethenoxypropyl)-1,4-dithiane?
2-(3-ethenoxypropyl)-1,4-dithiane has a molecular weight of 204.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)-1,4-dithiane is sourced from PubChem (CID 176603259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).