prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate

C9H16O6S2 — CID 89235340

IUPACprop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate
SMILESC#CCOS(=O)(=O)CCCCCOS(C)(=O)=O
InChIInChI=1S/C9H16O6S2/c1-3-7-15-17(12,13)9-6-4-5-8-14-16(2,10)11/h1H,4-9H2,2H3
InChIKeyNSNQEZAKSOJGTR-UHFFFAOYSA-N
MW284.35 g/mol
LogP0.11
Rot. Bonds9

About prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate

prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate (PubChem CID 89235340) has the molecular formula C9H16O6S2 and a molecular weight of 284.35 g/mol. Its IUPAC name is prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate.

Molecular Properties

Compound Nameprop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate
PubChem CID89235340
Molecular FormulaC9H16O6S2
Molecular Weight284.35 g/mol
Exact Mass284.04
IUPAC Nameprop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate
SMILESC#CCOS(=O)(=O)CCCCCOS(C)(=O)=O
InChIInChI=1S/C9H16O6S2/c1-3-7-15-17(12,13)9-6-4-5-8-14-16(2,10)11/h1H,4-9H2,2H3
InChIKeyNSNQEZAKSOJGTR-UHFFFAOYSA-N
XLogP0.11
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

prop-2-ynyl 6-dimethoxyphosphoryloxyhexane-1-sulfonate
CID 89235451
6-prop-2-ynoxysulfonylhexyl acetate
CID 89235274
dec-9-ynyl methanesulfonate
CID 121216247
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
prop-2-ynyl 4-diethoxyphosphorylbutane-1-sulfonate
CID 89235549
tridecyl tridecane-1-sulfonate
CID 123645713
hexadecyl octane-1-sulfonate
CID 172859291
sodium;hydride;prop-2-ynyl propane-1-sulfonate
CID 175482201
azane;henicosyl dodecane-1-sulfonate
CID 175159978
lithium;docosyl dodecane-1-sulfonate;hydride
CID 175529583
CID 87587825
CID 87587825
prop-2-ynyl 2-dimethoxyphosphoryloxyethanesulfonate
CID 89235407

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate?
The IUPAC name of prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate (CID 89235340) is prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate.
What is the SMILES notation for prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate?
The canonical SMILES for prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate is C#CCOS(=O)(=O)CCCCCOS(C)(=O)=O.
What is the InChIKey of prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate?
The InChIKey is NSNQEZAKSOJGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6S2/c1-3-7-15-17(12,13)9-6-4-5-8-14-16(2,10)11/h1H,4-9H2,2H3.
What are the key properties of prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate?
prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate has a molecular weight of 284.35 g/mol, XLogP of 0.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 5-methylsulfonyloxypentane-1-sulfonate is sourced from PubChem (CID 89235340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).