dioxane;hept-6-ene-1-sulfonyl chloride

C11H21ClO4S — CID 174687063

IUPACdioxane;hept-6-ene-1-sulfonyl chloride
SMILESC1CCOOC1.C=CCCCCCS(=O)(=O)Cl
InChIInChI=1S/C7H13ClO2S.C4H8O2/c1-2-3-4-5-6-7-11(8,9)10;1-2-4-6-5-3-1/h2H,1,3-7H2;1-4H2
InChIKeyUEWVUKZBHNEMIR-UHFFFAOYSA-N
MW284.80 g/mol
LogP3.03
Rot. Bonds6

About dioxane;hept-6-ene-1-sulfonyl chloride

dioxane;hept-6-ene-1-sulfonyl chloride (PubChem CID 174687063) has the molecular formula C11H21ClO4S and a molecular weight of 284.80 g/mol. Its IUPAC name is dioxane;hept-6-ene-1-sulfonyl chloride.

Molecular Properties

Compound Namedioxane;hept-6-ene-1-sulfonyl chloride
PubChem CID174687063
Molecular FormulaC11H21ClO4S
Molecular Weight284.80 g/mol
Exact Mass284.08
IUPAC Namedioxane;hept-6-ene-1-sulfonyl chloride
SMILESC1CCOOC1.C=CCCCCCS(=O)(=O)Cl
InChIInChI=1S/C7H13ClO2S.C4H8O2/c1-2-3-4-5-6-7-11(8,9)10;1-2-4-6-5-3-1/h2H,1,3-7H2;1-4H2
InChIKeyUEWVUKZBHNEMIR-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trichloro(hex-5-enyl)-λ4-sulfane
CID 155415762
dioxetane;undec-1-ene
CID 159623515
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
azanium hex-5-ene-1-sulfonate
CID 155661740
4-undec-10-enoxybutane-1-sulfonic acid
CID 151809612
dioxane;2-methylhept-6-enoic acid
CID 174547200
heptahexaconta-1,23,66-triene
CID 57275880
icosa-1,9,19-triene
CID 57001912
CID 135082421
CID 135082421
1,2,3,4,5-pentamethyl-6-non-8-enylsulfonylbenzene
CID 23466552
heptane-1-sulfonyl chloride
CID 10878141

Frequently Asked Questions

What is the IUPAC name of dioxane;hept-6-ene-1-sulfonyl chloride?
The IUPAC name of dioxane;hept-6-ene-1-sulfonyl chloride (CID 174687063) is dioxane;hept-6-ene-1-sulfonyl chloride.
What is the SMILES notation for dioxane;hept-6-ene-1-sulfonyl chloride?
The canonical SMILES for dioxane;hept-6-ene-1-sulfonyl chloride is C1CCOOC1.C=CCCCCCS(=O)(=O)Cl.
What is the InChIKey of dioxane;hept-6-ene-1-sulfonyl chloride?
The InChIKey is UEWVUKZBHNEMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2S.C4H8O2/c1-2-3-4-5-6-7-11(8,9)10;1-2-4-6-5-3-1/h2H,1,3-7H2;1-4H2.
What are the key properties of dioxane;hept-6-ene-1-sulfonyl chloride?
dioxane;hept-6-ene-1-sulfonyl chloride has a molecular weight of 284.80 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxane;hept-6-ene-1-sulfonyl chloride is sourced from PubChem (CID 174687063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).