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

C10H18OS — CID 176603498

IUPAC2-[1-[(E)-prop-1-enoxy]ethyl]thiane
SMILESC/C=C/OC(C)C1CCCCS1
InChIInChI=1S/C10H18OS/c1-3-7-11-9(2)10-6-4-5-8-12-10/h3,7,9-10H,4-6,8H2,1-2H3/b7-3+
InChIKeyPPDNEZVIICMZAM-XVNBXDOJSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds3

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

2-[1-[(E)-prop-1-enoxy]ethyl]thiane (PubChem CID 176603498) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-[1-[(E)-prop-1-enoxy]ethyl]thiane.

Molecular Properties

Compound Name2-[1-[(E)-prop-1-enoxy]ethyl]thiane
PubChem CID176603498
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-[1-[(E)-prop-1-enoxy]ethyl]thiane
SMILESC/C=C/OC(C)C1CCCCS1
InChIInChI=1S/C10H18OS/c1-3-7-11-9(2)10-6-4-5-8-12-10/h3,7,9-10H,4-6,8H2,1-2H3/b7-3+
InChIKeyPPDNEZVIICMZAM-XVNBXDOJSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

Hexyl-[4-(oxan-2-yl)butyl]-prop-2-enylsulfanium
CID 88678111
2-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603141
2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603325
2-(1-Ethenoxyethyl)thiane
CID 176603431
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiane
CID 176603503
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603601
2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
CID 176603666
3-[1-[(E)-prop-1-enoxy]ethyl]thiane
CID 176603744
2-[1-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176604014
2-[[(E)-prop-1-enoxy]methyl]thiepane
CID 176604060
2-[2-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
CID 176604097
2-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176604139

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]thiane?
The IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]thiane (CID 176603498) is 2-[1-[(E)-prop-1-enoxy]ethyl]thiane.
What is the SMILES notation for 2-[1-[(E)-prop-1-enoxy]ethyl]thiane?
The canonical SMILES for 2-[1-[(E)-prop-1-enoxy]ethyl]thiane is C/C=C/OC(C)C1CCCCS1.
What is the InChIKey of 2-[1-[(E)-prop-1-enoxy]ethyl]thiane?
The InChIKey is PPDNEZVIICMZAM-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-7-11-9(2)10-6-4-5-8-12-10/h3,7,9-10H,4-6,8H2,1-2H3/b7-3+.
What are the key properties of 2-[1-[(E)-prop-1-enoxy]ethyl]thiane?
2-[1-[(E)-prop-1-enoxy]ethyl]thiane has a molecular weight of 186.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-prop-1-enoxy]ethyl]thiane is sourced from PubChem (CID 176603498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).