5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate

C10H16O5S — CID 14816198

IUPAC5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate
SMILESCS(=O)(=O)OCCCCCC1=CC(=O)OC1
InChIInChI=1S/C10H16O5S/c1-16(12,13)15-6-4-2-3-5-9-7-10(11)14-8-9/h7H,2-6,8H2,1H3
InChIKeyJMYDOBYMPDLCLN-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.01
Rot. Bonds7

About 5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate

5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate (PubChem CID 14816198) has the molecular formula C10H16O5S and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate.

Molecular Properties

Compound Name5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate
PubChem CID14816198
Molecular FormulaC10H16O5S
Molecular Weight248.30 g/mol
Exact Mass248.07
IUPAC Name5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate
SMILESCS(=O)(=O)OCCCCCC1=CC(=O)OC1
InChIInChI=1S/C10H16O5S/c1-16(12,13)15-6-4-2-3-5-9-7-10(11)14-8-9/h7H,2-6,8H2,1H3
InChIKeyJMYDOBYMPDLCLN-UHFFFAOYSA-N
XLogP1.01
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(cyclopropen-1-yl)heptyl methanesulfonate
CID 18548198
4-(3-oxocyclohexen-1-yl)butyl methanesulfonate
CID 15566370
3-(cyclopenten-1-yl)propyl methanesulfonate
CID 139249240
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
5-naphthalen-1-ylpentyl methanesulfonate
CID 19955547
3-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-2H-furan-5-one
CID 163184532
4-thiophen-2-ylbutyl methanesulfonate
CID 54434869
5-hydroxypentyl methanesulfonate
CID 19894604
10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl methanesulfonate
CID 58726785
3-(2-bromophenyl)propyl methanesulfonate
CID 15364879
4-(4-oxo-2H-1,3-benzoxazin-3-yl)butyl methanesulfonate
CID 19027043
8-ethoxyoctyl methanesulfonate
CID 139711328

Frequently Asked Questions

What is the IUPAC name of 5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate?
The IUPAC name of 5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate (CID 14816198) is 5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate.
What is the SMILES notation for 5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate?
The canonical SMILES for 5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate is CS(=O)(=O)OCCCCCC1=CC(=O)OC1.
What is the InChIKey of 5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate?
The InChIKey is JMYDOBYMPDLCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5S/c1-16(12,13)15-6-4-2-3-5-9-7-10(11)14-8-9/h7H,2-6,8H2,1H3.
What are the key properties of 5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate?
5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate has a molecular weight of 248.30 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-oxo-2H-furan-3-yl)pentyl methanesulfonate is sourced from PubChem (CID 14816198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).