5-(2-methyloxolan-3-yl)sulfonylpentanoic acid

C10H18O5S — CID 107746515

IUPAC5-(2-methyloxolan-3-yl)sulfonylpentanoic acid
SMILESCC1OCCC1S(=O)(=O)CCCCC(=O)O
InChIInChI=1S/C10H18O5S/c1-8-9(5-6-15-8)16(13,14)7-3-2-4-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyBOTDKVJLLNQICY-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.83
Rot. Bonds6

About 5-(2-methyloxolan-3-yl)sulfonylpentanoic acid

5-(2-methyloxolan-3-yl)sulfonylpentanoic acid (PubChem CID 107746515) has the molecular formula C10H18O5S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-(2-methyloxolan-3-yl)sulfonylpentanoic acid.

Molecular Properties

Compound Name5-(2-methyloxolan-3-yl)sulfonylpentanoic acid
PubChem CID107746515
Molecular FormulaC10H18O5S
Molecular Weight250.32 g/mol
Exact Mass250.09
IUPAC Name5-(2-methyloxolan-3-yl)sulfonylpentanoic acid
SMILESCC1OCCC1S(=O)(=O)CCCCC(=O)O
InChIInChI=1S/C10H18O5S/c1-8-9(5-6-15-8)16(13,14)7-3-2-4-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyBOTDKVJLLNQICY-UHFFFAOYSA-N
XLogP0.83
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
CID 107756941
3-(3-azidopropylsulfonyl)-2-methyloxolane
CID 107754204
2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine
CID 107756899
2,2-dimethyl-5-(2-methyloxolan-3-yl)sulfonylpentanenitrile
CID 113336435
3-(2-azidoethylsulfonyl)-2-methyloxolane
CID 107754203
2-[4-[(2-methyloxolan-3-yl)sulfonylmethyl]phenyl]acetic acid
CID 107746538
(2S,3S)-3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
CID 97326442
5-cyclohexylsulfonylpentanoic acid
CID 60872104
5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid
CID 82728125
3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
CID 107764097
(2R,3S)-2-methyloxolane-3-sulfonyl chloride
CID 98113530
2-methyloxolane-3-sulfonyl fluoride
CID 165460627

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyloxolan-3-yl)sulfonylpentanoic acid?
The IUPAC name of 5-(2-methyloxolan-3-yl)sulfonylpentanoic acid (CID 107746515) is 5-(2-methyloxolan-3-yl)sulfonylpentanoic acid.
What is the SMILES notation for 5-(2-methyloxolan-3-yl)sulfonylpentanoic acid?
The canonical SMILES for 5-(2-methyloxolan-3-yl)sulfonylpentanoic acid is CC1OCCC1S(=O)(=O)CCCCC(=O)O.
What is the InChIKey of 5-(2-methyloxolan-3-yl)sulfonylpentanoic acid?
The InChIKey is BOTDKVJLLNQICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S/c1-8-9(5-6-15-8)16(13,14)7-3-2-4-10(11)12/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 5-(2-methyloxolan-3-yl)sulfonylpentanoic acid?
5-(2-methyloxolan-3-yl)sulfonylpentanoic acid has a molecular weight of 250.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyloxolan-3-yl)sulfonylpentanoic acid is sourced from PubChem (CID 107746515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).