1-(ethylsulfonylmethoxy)-3-methoxypropane;methane

C9H24O4S — CID 158872011

IUPAC1-(ethylsulfonylmethoxy)-3-methoxypropane;methane
SMILESC.C.CCS(=O)(=O)COCCCOC
InChIInChI=1S/C7H16O4S.2CH4/c1-3-12(8,9)7-11-6-4-5-10-2;;/h3-7H2,1-2H3;2*1H4
InChIKeyJBYQKHBKMVPVTN-UHFFFAOYSA-N
MW228.35 g/mol
LogP1.70
Rot. Bonds7

About 1-(ethylsulfonylmethoxy)-3-methoxypropane;methane

1-(ethylsulfonylmethoxy)-3-methoxypropane;methane (PubChem CID 158872011) has the molecular formula C9H24O4S and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-(ethylsulfonylmethoxy)-3-methoxypropane;methane.

Molecular Properties

Compound Name1-(ethylsulfonylmethoxy)-3-methoxypropane;methane
PubChem CID158872011
Molecular FormulaC9H24O4S
Molecular Weight228.35 g/mol
Exact Mass228.14
IUPAC Name1-(ethylsulfonylmethoxy)-3-methoxypropane;methane
SMILESC.C.CCS(=O)(=O)COCCCOC
InChIInChI=1S/C7H16O4S.2CH4/c1-3-12(8,9)7-11-6-4-5-10-2;;/h3-7H2,1-2H3;2*1H4
InChIKeyJBYQKHBKMVPVTN-UHFFFAOYSA-N
XLogP1.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
CID 65092824
3-ethylsulfonyl-N-(2-methoxyethoxy)propan-1-amine
CID 82721655
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
2-(3-methoxypropoxy)ethanamine;hydrochloride
CID 86645457
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
3-methoxypropyl methanesulfonate
CID 11693963
2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
CID 64999800
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine
CID 106513266

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfonylmethoxy)-3-methoxypropane;methane?
The IUPAC name of 1-(ethylsulfonylmethoxy)-3-methoxypropane;methane (CID 158872011) is 1-(ethylsulfonylmethoxy)-3-methoxypropane;methane.
What is the SMILES notation for 1-(ethylsulfonylmethoxy)-3-methoxypropane;methane?
The canonical SMILES for 1-(ethylsulfonylmethoxy)-3-methoxypropane;methane is C.C.CCS(=O)(=O)COCCCOC.
What is the InChIKey of 1-(ethylsulfonylmethoxy)-3-methoxypropane;methane?
The InChIKey is JBYQKHBKMVPVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4S.2CH4/c1-3-12(8,9)7-11-6-4-5-10-2;;/h3-7H2,1-2H3;2*1H4.
What are the key properties of 1-(ethylsulfonylmethoxy)-3-methoxypropane;methane?
1-(ethylsulfonylmethoxy)-3-methoxypropane;methane has a molecular weight of 228.35 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfonylmethoxy)-3-methoxypropane;methane is sourced from PubChem (CID 158872011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).