methane;pentyl methanesulfonate

C10H30O3S — CID 158804088

IUPACmethane;pentyl methanesulfonate
SMILESC.C.C.C.CCCCCOS(C)(=O)=O
InChIInChI=1S/C6H14O3S.4CH4/c1-3-4-5-6-9-10(2,7)8;;;;/h3-6H2,1-2H3;4*1H4
InChIKeyITVUCFZWLFOOFG-UHFFFAOYSA-N
MW230.41 g/mol
LogP3.70
Rot. Bonds5

About methane;pentyl methanesulfonate

methane;pentyl methanesulfonate (PubChem CID 158804088) has the molecular formula C10H30O3S and a molecular weight of 230.41 g/mol. Its IUPAC name is methane;pentyl methanesulfonate.

Molecular Properties

Compound Namemethane;pentyl methanesulfonate
PubChem CID158804088
Molecular FormulaC10H30O3S
Molecular Weight230.41 g/mol
Exact Mass230.19
IUPAC Namemethane;pentyl methanesulfonate
SMILESC.C.C.C.CCCCCOS(C)(=O)=O
InChIInChI=1S/C6H14O3S.4CH4/c1-3-4-5-6-9-10(2,7)8;;;;/h3-6H2,1-2H3;4*1H4
InChIKeyITVUCFZWLFOOFG-UHFFFAOYSA-N
XLogP3.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

azane;N,N-dimethylmethanamine;octadecyl methanesulfonate
CID 174627286
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
icos-11-enyl methanesulfonate
CID 123465441
[(Z)-icos-11-enyl] methanesulfonate
CID 86699632
2-(2-hexadecoxyethoxy)ethyl methanesulfonate
CID 174987628
[(7R)-7-methyloctadecyl] methanesulfonate
CID 129382798
dec-4-enyl methanesulfonate
CID 123139134
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
pentyl ethanesulfonate
CID 19609002
8-ethoxyoctyl methanesulfonate
CID 139711328
1-butoxy-8-iodooctane;8-butoxyoctyl methanesulfonate
CID 157496214

Frequently Asked Questions

What is the IUPAC name of methane;pentyl methanesulfonate?
The IUPAC name of methane;pentyl methanesulfonate (CID 158804088) is methane;pentyl methanesulfonate.
What is the SMILES notation for methane;pentyl methanesulfonate?
The canonical SMILES for methane;pentyl methanesulfonate is C.C.C.C.CCCCCOS(C)(=O)=O.
What is the InChIKey of methane;pentyl methanesulfonate?
The InChIKey is ITVUCFZWLFOOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S.4CH4/c1-3-4-5-6-9-10(2,7)8;;;;/h3-6H2,1-2H3;4*1H4.
What are the key properties of methane;pentyl methanesulfonate?
methane;pentyl methanesulfonate has a molecular weight of 230.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;pentyl methanesulfonate is sourced from PubChem (CID 158804088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).