2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene

C9H20O2S — CID 144528387

IUPAC2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene
SMILESC=CC.CC(C)OC(C)COS
InChIInChI=1S/C6H14O2S.C3H6/c1-5(2)8-6(3)4-7-9;1-3-2/h5-6,9H,4H2,1-3H3;3H,1H2,2H3
InChIKeyIFDFCTYYOANVEJ-UHFFFAOYSA-N
MW192.32 g/mol
LogP2.85
Rot. Bonds4

About 2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene

2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene (PubChem CID 144528387) has the molecular formula C9H20O2S and a molecular weight of 192.32 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene.

Molecular Properties

Compound Name2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene
PubChem CID144528387
Molecular FormulaC9H20O2S
Molecular Weight192.32 g/mol
Exact Mass192.12
IUPAC Name2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene
SMILESC=CC.CC(C)OC(C)COS
InChIInChI=1S/C6H14O2S.C3H6/c1-5(2)8-6(3)4-7-9;1-3-2/h5-6,9H,4H2,1-3H3;3H,1H2,2H3
InChIKeyIFDFCTYYOANVEJ-UHFFFAOYSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-Propene, 3-(2-(2-methoxypropoxy)propoxy)-
CID 107063
Bis-(2-allyloxy-propyl) ether
CID 129659935
1-(3-Methoxypropoxy)-2-prop-2-enoxypropane
CID 44146791
1-Prop-2-enoxy-2-(2-prop-2-enoxypropoxy)propane
CID 10171353
1-Methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;prop-1-ene
CID 19959885
1,2-Bis(prop-2-enoxy)butane
CID 20152524
3-({1-[(Prop-2-en-1-yl)oxy]propan-2-yl}oxy)prop-1-ene
CID 20365637
1-Methoxy-2-(2-prop-2-enoxypropoxy)propane
CID 20538455
2-Methoxy-1-prop-2-enoxybutane
CID 20591415
2-(2-Prop-2-enoxyethoxy)butane
CID 20802041
1,2-Bis(prop-1-enoxy)propane
CID 53967680
2-(2-Methoxyethoxy)-1-prop-2-enoxybutane
CID 57901446

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene?
The IUPAC name of 2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene (CID 144528387) is 2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene.
What is the SMILES notation for 2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene?
The canonical SMILES for 2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene is C=CC.CC(C)OC(C)COS.
What is the InChIKey of 2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene?
The InChIKey is IFDFCTYYOANVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S.C3H6/c1-5(2)8-6(3)4-7-9;1-3-2/h5-6,9H,4H2,1-3H3;3H,1H2,2H3.
What are the key properties of 2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene?
2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene has a molecular weight of 192.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-sulfanyloxypropane;prop-1-ene is sourced from PubChem (CID 144528387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).