1-methylsulfinyl-3-propan-2-yloxypropane

C7H16O2S — CID 162770564

IUPAC1-methylsulfinyl-3-propan-2-yloxypropane
SMILESCC(C)OCCCS(C)=O
InChIInChI=1S/C7H16O2S/c1-7(2)9-5-4-6-10(3)8/h7H,4-6H2,1-3H3
InChIKeyUZYXANQCUIAJBT-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.18
Rot. Bonds5

About 1-methylsulfinyl-3-propan-2-yloxypropane

1-methylsulfinyl-3-propan-2-yloxypropane (PubChem CID 162770564) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-methylsulfinyl-3-propan-2-yloxypropane.

Molecular Properties

Compound Name1-methylsulfinyl-3-propan-2-yloxypropane
PubChem CID162770564
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name1-methylsulfinyl-3-propan-2-yloxypropane
SMILESCC(C)OCCCS(C)=O
InChIInChI=1S/C7H16O2S/c1-7(2)9-5-4-6-10(3)8/h7H,4-6H2,1-3H3
InChIKeyUZYXANQCUIAJBT-UHFFFAOYSA-N
XLogP1.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-di(propan-2-yloxy)hexane
CID 10899702
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664
1-methyl-3-[(S)-3-propan-2-yloxypropylsulfinyl]benzene
CID 99859224
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
3-propan-2-yloxypropyl thiohypofluorite
CID 146245926
1-fluoro-3-[(R)-3-propan-2-yloxypropylsulfinyl]benzene
CID 99859236
2-(2-propan-2-yloxyethylsulfinyl)propanoic acid
CID 61482943
bis(3-propan-2-yloxypropyl) sulfate
CID 139845252
3-propan-2-yloxypropan-1-amine;hydrochloride
CID 18670799
4-propan-2-yloxybutane-1,1-diol
CID 87074397

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyl-3-propan-2-yloxypropane?
The IUPAC name of 1-methylsulfinyl-3-propan-2-yloxypropane (CID 162770564) is 1-methylsulfinyl-3-propan-2-yloxypropane.
What is the SMILES notation for 1-methylsulfinyl-3-propan-2-yloxypropane?
The canonical SMILES for 1-methylsulfinyl-3-propan-2-yloxypropane is CC(C)OCCCS(C)=O.
What is the InChIKey of 1-methylsulfinyl-3-propan-2-yloxypropane?
The InChIKey is UZYXANQCUIAJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-7(2)9-5-4-6-10(3)8/h7H,4-6H2,1-3H3.
What are the key properties of 1-methylsulfinyl-3-propan-2-yloxypropane?
1-methylsulfinyl-3-propan-2-yloxypropane has a molecular weight of 164.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyl-3-propan-2-yloxypropane is sourced from PubChem (CID 162770564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).