1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid

C11H20O4S — CID 71108385

IUPAC1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid
SMILESO=S(O)C1(CCCOC2CCCCO2)CC1
InChIInChI=1S/C11H20O4S/c12-16(13)11(6-7-11)5-3-9-15-10-4-1-2-8-14-10/h10H,1-9H2,(H,12,13)
InChIKeyLQINPKUOZZUAMV-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.06
Rot. Bonds6

About 1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid

1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid (PubChem CID 71108385) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid.

Molecular Properties

Compound Name1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid
PubChem CID71108385
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Name1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid
SMILESO=S(O)C1(CCCOC2CCCCO2)CC1
InChIInChI=1S/C11H20O4S/c12-16(13)11(6-7-11)5-3-9-15-10-4-1-2-8-14-10/h10H,1-9H2,(H,12,13)
InChIKeyLQINPKUOZZUAMV-UHFFFAOYSA-N
XLogP2.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(2-methylsulfinylethoxy)oxane
CID 139397304
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(12-bromododecoxy)oxane
CID 11078592
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
2-(12-chlorododecoxy)oxane
CID 14014573
2-octacosoxyoxane
CID 11214102
2-(18-iodooctadecoxy)oxane
CID 86124950
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid?
The IUPAC name of 1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid (CID 71108385) is 1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid.
What is the SMILES notation for 1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid?
The canonical SMILES for 1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid is O=S(O)C1(CCCOC2CCCCO2)CC1.
What is the InChIKey of 1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid?
The InChIKey is LQINPKUOZZUAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c12-16(13)11(6-7-11)5-3-9-15-10-4-1-2-8-14-10/h10H,1-9H2,(H,12,13).
What are the key properties of 1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid?
1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid has a molecular weight of 248.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid is sourced from PubChem (CID 71108385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).