2-(2-butoxyethoxy)propyl methanesulfonate

C10H22O5S — CID 54287981

IUPAC2-(2-butoxyethoxy)propyl methanesulfonate
SMILESCCCCOCCOC(C)COS(C)(=O)=O
InChIInChI=1S/C10H22O5S/c1-4-5-6-13-7-8-14-10(2)9-15-16(3,11)12/h10H,4-9H2,1-3H3
InChIKeyRVMYYLSVFOMKPW-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.18
Rot. Bonds10

About 2-(2-butoxyethoxy)propyl methanesulfonate

2-(2-butoxyethoxy)propyl methanesulfonate (PubChem CID 54287981) has the molecular formula C10H22O5S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)propyl methanesulfonate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)propyl methanesulfonate
PubChem CID54287981
Molecular FormulaC10H22O5S
Molecular Weight254.35 g/mol
Exact Mass254.12
IUPAC Name2-(2-butoxyethoxy)propyl methanesulfonate
SMILESCCCCOCCOC(C)COS(C)(=O)=O
InChIInChI=1S/C10H22O5S/c1-4-5-6-13-7-8-14-10(2)9-15-16(3,11)12/h10H,4-9H2,1-3H3
InChIKeyRVMYYLSVFOMKPW-UHFFFAOYSA-N
XLogP1.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)propyl methanesulfonate?
The IUPAC name of 2-(2-butoxyethoxy)propyl methanesulfonate (CID 54287981) is 2-(2-butoxyethoxy)propyl methanesulfonate.
What is the SMILES notation for 2-(2-butoxyethoxy)propyl methanesulfonate?
The canonical SMILES for 2-(2-butoxyethoxy)propyl methanesulfonate is CCCCOCCOC(C)COS(C)(=O)=O.
What is the InChIKey of 2-(2-butoxyethoxy)propyl methanesulfonate?
The InChIKey is RVMYYLSVFOMKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5S/c1-4-5-6-13-7-8-14-10(2)9-15-16(3,11)12/h10H,4-9H2,1-3H3.
What are the key properties of 2-(2-butoxyethoxy)propyl methanesulfonate?
2-(2-butoxyethoxy)propyl methanesulfonate has a molecular weight of 254.35 g/mol, XLogP of 1.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)propyl methanesulfonate is sourced from PubChem (CID 54287981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).