2-[3-[(E)-prop-1-enoxy]propyl]thiolane

C10H18OS — CID 176603325

IUPAC2-[3-[(E)-prop-1-enoxy]propyl]thiolane
SMILESC/C=C/OCCCC1CCCS1
InChIInChI=1S/C10H18OS/c1-2-7-11-8-3-5-10-6-4-9-12-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyVZKGWXOMUVJXFG-FARCUNLSSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds5

About 2-[3-[(E)-prop-1-enoxy]propyl]thiolane

2-[3-[(E)-prop-1-enoxy]propyl]thiolane (PubChem CID 176603325) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-[3-[(E)-prop-1-enoxy]propyl]thiolane.

Molecular Properties

Compound Name2-[3-[(E)-prop-1-enoxy]propyl]thiolane
PubChem CID176603325
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-[3-[(E)-prop-1-enoxy]propyl]thiolane
SMILESC/C=C/OCCCC1CCCS1
InChIInChI=1S/C10H18OS/c1-2-7-11-8-3-5-10-6-4-9-12-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyVZKGWXOMUVJXFG-FARCUNLSSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-prop-1-enoxy]propyl]thiolane?
The IUPAC name of 2-[3-[(E)-prop-1-enoxy]propyl]thiolane (CID 176603325) is 2-[3-[(E)-prop-1-enoxy]propyl]thiolane.
What is the SMILES notation for 2-[3-[(E)-prop-1-enoxy]propyl]thiolane?
The canonical SMILES for 2-[3-[(E)-prop-1-enoxy]propyl]thiolane is C/C=C/OCCCC1CCCS1.
What is the InChIKey of 2-[3-[(E)-prop-1-enoxy]propyl]thiolane?
The InChIKey is VZKGWXOMUVJXFG-FARCUNLSSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-7-11-8-3-5-10-6-4-9-12-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+.
What are the key properties of 2-[3-[(E)-prop-1-enoxy]propyl]thiolane?
2-[3-[(E)-prop-1-enoxy]propyl]thiolane has a molecular weight of 186.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-prop-1-enoxy]propyl]thiolane is sourced from PubChem (CID 176603325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).