[2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate

C9H16O5S — CID 123740524

IUPAC[2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate
SMILESCS(=O)(=O)OC1CCCC1C1OCCO1
InChIInChI=1S/C9H16O5S/c1-15(10,11)14-8-4-2-3-7(8)9-12-5-6-13-9/h7-9H,2-6H2,1H3
InChIKeyUIHODYBFAJBEPR-UHFFFAOYSA-N
MW236.29 g/mol
LogP0.50
Rot. Bonds3

About [2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate

[2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate (PubChem CID 123740524) has the molecular formula C9H16O5S and a molecular weight of 236.29 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate
PubChem CID123740524
Molecular FormulaC9H16O5S
Molecular Weight236.29 g/mol
Exact Mass236.07
IUPAC Name[2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate
SMILESCS(=O)(=O)OC1CCCC1C1OCCO1
InChIInChI=1S/C9H16O5S/c1-15(10,11)14-8-4-2-3-7(8)9-12-5-6-13-9/h7-9H,2-6H2,1H3
InChIKeyUIHODYBFAJBEPR-UHFFFAOYSA-N
XLogP0.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl methanesulfonate
CID 89440836
[(1R,2S)-2-methylcyclohexyl] methanesulfonate
CID 86685285
cobalt;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl methanesulfonate
CID 174523809
[(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate
CID 16738423
[(3R,4R,5S,6S)-6-methoxy-4,5-bis(methylsulfonyloxy)oxan-3-yl] methanesulfonate
CID 98524476
[(3R,4R,5S,6R)-6-methoxy-4,5-bis(methylsulfonyloxy)oxan-3-yl] methanesulfonate
CID 98524477
2-[(1R,2R)-2-ethylcyclopentyl]-1,3-dioxolane
CID 159348554
[(1R,2R,4S,7S,9R,10S)-9-[(2R)-oxan-2-yl]oxy-2-tricyclo[5.2.1.04,10]decanyl] methanesulfonate
CID 94037251
[(1S,2R,4S,7R,9S,10S)-9-[(2R)-oxan-2-yl]oxy-2-tricyclo[5.2.1.04,10]decanyl] methanesulfonate
CID 124783280
[(1R,2S)-2-phenylcyclopentyl] methanesulfonate
CID 121416459
[(1S,2R,5S)-6-oxo-2-bicyclo[3.2.0]heptanyl] methanesulfonate
CID 165350844
[(3S,4R)-3-fluorooxan-4-yl] methanesulfonate
CID 99771020

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate?
The IUPAC name of [2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate (CID 123740524) is [2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate is CS(=O)(=O)OC1CCCC1C1OCCO1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate?
The InChIKey is UIHODYBFAJBEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S/c1-15(10,11)14-8-4-2-3-7(8)9-12-5-6-13-9/h7-9H,2-6H2,1H3.
What are the key properties of [2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate?
[2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate has a molecular weight of 236.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)cyclopentyl] methanesulfonate is sourced from PubChem (CID 123740524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).