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

C8H14OS — CID 176604691

IUPAC2-[3-[(E)-prop-1-enoxy]propyl]thiirane
SMILESC/C=C/OCCCC1CS1
InChIInChI=1S/C8H14OS/c1-2-5-9-6-3-4-8-7-10-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyVPHQNQNFRNVKJZ-GORDUTHDSA-N
MW158.27 g/mol
LogP2.43
Rot. Bonds5

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

2-[3-[(E)-prop-1-enoxy]propyl]thiirane (PubChem CID 176604691) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-[3-[(E)-prop-1-enoxy]propyl]thiirane.

Molecular Properties

Compound Name2-[3-[(E)-prop-1-enoxy]propyl]thiirane
PubChem CID176604691
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-[3-[(E)-prop-1-enoxy]propyl]thiirane
SMILESC/C=C/OCCCC1CS1
InChIInChI=1S/C8H14OS/c1-2-5-9-6-3-4-8-7-10-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyVPHQNQNFRNVKJZ-GORDUTHDSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.43
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603325
1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
CID 131862355
1,10-bis(prop-1-enoxy)decane
CID 54271291
2-(3-ethenoxypropyl)-1,4-dithiane
CID 176603259
1-prop-1-enoxydecane
CID 54116737
silane;tribromo(3-prop-1-enoxypropyl)silane
CID 161219815
8-methyl-1-prop-1-enoxynonane
CID 152729157
1-isocyanato-8-prop-1-enoxyoctane
CID 151373241
[1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane
CID 123385784
trimethoxy(7-prop-1-enoxyheptyl)silane
CID 151084650
2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 6436935
4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
CID 176604731

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-prop-1-enoxy]propyl]thiirane?
The IUPAC name of 2-[3-[(E)-prop-1-enoxy]propyl]thiirane (CID 176604691) is 2-[3-[(E)-prop-1-enoxy]propyl]thiirane.
What is the SMILES notation for 2-[3-[(E)-prop-1-enoxy]propyl]thiirane?
The canonical SMILES for 2-[3-[(E)-prop-1-enoxy]propyl]thiirane is C/C=C/OCCCC1CS1.
What is the InChIKey of 2-[3-[(E)-prop-1-enoxy]propyl]thiirane?
The InChIKey is VPHQNQNFRNVKJZ-GORDUTHDSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-5-9-6-3-4-8-7-10-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of 2-[3-[(E)-prop-1-enoxy]propyl]thiirane?
2-[3-[(E)-prop-1-enoxy]propyl]thiirane has a molecular weight of 158.27 g/mol, XLogP of 2.43, 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]thiirane is sourced from PubChem (CID 176604691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).