4-[2-[(E)-prop-1-enoxy]ethyl]thiane

C10H18OS — CID 176604450

IUPAC4-[2-[(E)-prop-1-enoxy]ethyl]thiane
SMILESC/C=C/OCCC1CCSCC1
InChIInChI=1S/C10H18OS/c1-2-6-11-7-3-10-4-8-12-9-5-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+
InChIKeyPVOJJKBWNSBIIT-QHHAFSJGSA-N
MW186.32 g/mol
LogP3.07
Rot. Bonds4

About 4-[2-[(E)-prop-1-enoxy]ethyl]thiane

4-[2-[(E)-prop-1-enoxy]ethyl]thiane (PubChem CID 176604450) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-[2-[(E)-prop-1-enoxy]ethyl]thiane.

Molecular Properties

Compound Name4-[2-[(E)-prop-1-enoxy]ethyl]thiane
PubChem CID176604450
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name4-[2-[(E)-prop-1-enoxy]ethyl]thiane
SMILESC/C=C/OCCC1CCSCC1
InChIInChI=1S/C10H18OS/c1-2-6-11-7-3-10-4-8-12-9-5-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+
InChIKeyPVOJJKBWNSBIIT-QHHAFSJGSA-N
XLogP3.07
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 ≤ 53.07
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

4-(2-Methylprop-1-enoxymethyl)thiane
CID 176602946
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602960
3-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603022
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603065
2-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603141
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603227
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiane
CID 176603503
4-[1-[(E)-prop-1-enoxy]ethyl]thiane
CID 176603541
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603601
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane
CID 176603632
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603655
3-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
CID 176603665

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-prop-1-enoxy]ethyl]thiane?
The IUPAC name of 4-[2-[(E)-prop-1-enoxy]ethyl]thiane (CID 176604450) is 4-[2-[(E)-prop-1-enoxy]ethyl]thiane.
What is the SMILES notation for 4-[2-[(E)-prop-1-enoxy]ethyl]thiane?
The canonical SMILES for 4-[2-[(E)-prop-1-enoxy]ethyl]thiane is C/C=C/OCCC1CCSCC1.
What is the InChIKey of 4-[2-[(E)-prop-1-enoxy]ethyl]thiane?
The InChIKey is PVOJJKBWNSBIIT-QHHAFSJGSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-6-11-7-3-10-4-8-12-9-5-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+.
What are the key properties of 4-[2-[(E)-prop-1-enoxy]ethyl]thiane?
4-[2-[(E)-prop-1-enoxy]ethyl]thiane has a molecular weight of 186.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-prop-1-enoxy]ethyl]thiane is sourced from PubChem (CID 176604450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).