3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene

C11H24O2S — CID 169106862

IUPAC3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene
SMILESC=CC.CCSCC1CCOC1.CO
InChIInChI=1S/C7H14OS.C3H6.CH4O/c1-2-9-6-7-3-4-8-5-7;1-3-2;1-2/h7H,2-6H2,1H3;3H,1H2,2H3;2H,1H3
InChIKeyWBZORUQFGXMTCI-UHFFFAOYSA-N
MW220.38 g/mol
LogP2.58
Rot. Bonds3

About 3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene

3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene (PubChem CID 169106862) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene
PubChem CID169106862
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene
SMILESC=CC.CCSCC1CCOC1.CO
InChIInChI=1S/C7H14OS.C3H6.CH4O/c1-2-9-6-7-3-4-8-5-7;1-3-2;1-2/h7H,2-6H2,1H3;3H,1H2,2H3;2H,1H3
InChIKeyWBZORUQFGXMTCI-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethane;3-(ethylsulfanylmethyl)oxolane;prop-1-ene
CID 169106854
(2R,5S)-3,4-dimethyl-5-[(E)-prop-1-enyl]sulfanyloxythiolan-2-ol
CID 102312069

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene?
The IUPAC name of 3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene (CID 169106862) is 3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene.
What is the SMILES notation for 3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene?
The canonical SMILES for 3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene is C=CC.CCSCC1CCOC1.CO.
What is the InChIKey of 3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene?
The InChIKey is WBZORUQFGXMTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS.C3H6.CH4O/c1-2-9-6-7-3-4-8-5-7;1-3-2;1-2/h7H,2-6H2,1H3;3H,1H2,2H3;2H,1H3.
What are the key properties of 3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene?
3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene has a molecular weight of 220.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)oxolane;methanol;prop-1-ene is sourced from PubChem (CID 169106862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).