2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane

C10H18OS — CID 176605029

IUPAC2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane
SMILESC/C=C/OCCC1(C)CCCS1
InChIInChI=1S/C10H18OS/c1-3-7-11-8-6-10(2)5-4-9-12-10/h3,7H,4-6,8-9H2,1-2H3/b7-3+
InChIKeyMFTSFONMJXUWIO-XVNBXDOJSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds4

About 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane

2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane (PubChem CID 176605029) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane.

Molecular Properties

Compound Name2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane
PubChem CID176605029
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane
SMILESC/C=C/OCCC1(C)CCCS1
InChIInChI=1S/C10H18OS/c1-3-7-11-8-6-10(2)5-4-9-12-10/h3,7H,4-6,8-9H2,1-2H3/b7-3+
InChIKeyMFTSFONMJXUWIO-XVNBXDOJSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176602987
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane
CID 176603250
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603272
2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603325
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiolane 1-oxide
CID 176603365
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603408
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603474
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiolane
CID 176603475
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiane
CID 176603503
3-[2-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603533
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane?
The IUPAC name of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane (CID 176605029) is 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane.
What is the SMILES notation for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane?
The canonical SMILES for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane is C/C=C/OCCC1(C)CCCS1.
What is the InChIKey of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane?
The InChIKey is MFTSFONMJXUWIO-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-7-11-8-6-10(2)5-4-9-12-10/h3,7H,4-6,8-9H2,1-2H3/b7-3+.
What are the key properties of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane?
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane has a molecular weight of 186.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiolane is sourced from PubChem (CID 176605029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).