8-ethoxyoctyl methanesulfonate

C11H24O4S — CID 139711328

IUPAC8-ethoxyoctyl methanesulfonate
SMILESCCOCCCCCCCCOS(C)(=O)=O
InChIInChI=1S/C11H24O4S/c1-3-14-10-8-6-4-5-7-9-11-15-16(2,12)13/h3-11H2,1-2H3
InChIKeySFCKREQFTQWWNL-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.34
Rot. Bonds11

About 8-ethoxyoctyl methanesulfonate

8-ethoxyoctyl methanesulfonate (PubChem CID 139711328) has the molecular formula C11H24O4S and a molecular weight of 252.38 g/mol. Its IUPAC name is 8-ethoxyoctyl methanesulfonate.

Molecular Properties

Compound Name8-ethoxyoctyl methanesulfonate
PubChem CID139711328
Molecular FormulaC11H24O4S
Molecular Weight252.38 g/mol
Exact Mass252.14
IUPAC Name8-ethoxyoctyl methanesulfonate
SMILESCCOCCCCCCCCOS(C)(=O)=O
InChIInChI=1S/C11H24O4S/c1-3-14-10-8-6-4-5-7-9-11-15-16(2,12)13/h3-11H2,1-2H3
InChIKeySFCKREQFTQWWNL-UHFFFAOYSA-N
XLogP2.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
2-(2-hexadecoxyethoxy)ethyl methanesulfonate
CID 174987628
1-butoxy-8-iodooctane;8-butoxyoctyl methanesulfonate
CID 157496214
6-butoxyhexan-1-ol;6-butoxyhexyl methanesulfonate
CID 118575706
methane;pentyl methanesulfonate
CID 158804088
2-(5-methylsulfonyloxypentoxy)acetic acid
CID 175490607
5-hydroxypentyl methanesulfonate
CID 19894604
azane;N,N-dimethylmethanamine;octadecyl methanesulfonate
CID 174627286
4-(2-methylbutoxy)butyl methanesulfonate
CID 91199402
ethyl 10-methylsulfonyloxydecanoate
CID 118671452
2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 155982389
5-ethoxypentane-1-sulfonic acid
CID 56995541

Frequently Asked Questions

What is the IUPAC name of 8-ethoxyoctyl methanesulfonate?
The IUPAC name of 8-ethoxyoctyl methanesulfonate (CID 139711328) is 8-ethoxyoctyl methanesulfonate.
What is the SMILES notation for 8-ethoxyoctyl methanesulfonate?
The canonical SMILES for 8-ethoxyoctyl methanesulfonate is CCOCCCCCCCCOS(C)(=O)=O.
What is the InChIKey of 8-ethoxyoctyl methanesulfonate?
The InChIKey is SFCKREQFTQWWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4S/c1-3-14-10-8-6-4-5-7-9-11-15-16(2,12)13/h3-11H2,1-2H3.
What are the key properties of 8-ethoxyoctyl methanesulfonate?
8-ethoxyoctyl methanesulfonate has a molecular weight of 252.38 g/mol, XLogP of 2.34, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxyoctyl methanesulfonate is sourced from PubChem (CID 139711328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).