2-[[(E)-prop-1-enoxy]methyl]thiocane

C11H20OS — CID 176604275

IUPAC2-[[(E)-prop-1-enoxy]methyl]thiocane
SMILESC/C=C/OCC1CCCCCCS1
InChIInChI=1S/C11H20OS/c1-2-8-12-10-11-7-5-3-4-6-9-13-11/h2,8,11H,3-7,9-10H2,1H3/b8-2+
InChIKeyFCPXLQRFZGEMPZ-KRXBUXKQSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds3

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

2-[[(E)-prop-1-enoxy]methyl]thiocane (PubChem CID 176604275) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enoxy]methyl]thiocane.

Molecular Properties

Compound Name2-[[(E)-prop-1-enoxy]methyl]thiocane
PubChem CID176604275
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-[[(E)-prop-1-enoxy]methyl]thiocane
SMILESC/C=C/OCC1CCCCCCS1
InChIInChI=1S/C11H20OS/c1-2-8-12-10-11-7-5-3-4-6-9-13-11/h2,8,11H,3-7,9-10H2,1H3/b8-2+
InChIKeyFCPXLQRFZGEMPZ-KRXBUXKQSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.60
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

2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiocane
CID 176603030
2-(3-Ethenoxypropyl)thiocane
CID 176603230
2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603325
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiocane
CID 176603401
2-[3-(2-Methylprop-1-enoxy)propyl]thiocane
CID 176603409
2-[3-[(E)-prop-1-enoxy]propyl]thiocane 1-oxide
CID 176603674
2-[3-[(E)-prop-1-enoxy]propyl]thiocane
CID 176603688
2-(2-Methylprop-1-enoxymethyl)thiocane
CID 176603966
2-[[(E)-prop-1-enoxy]methyl]thiepane
CID 176604060
2-[3-[(E)-prop-1-enoxy]propyl]thiane
CID 176604162
2-(Ethenoxymethyl)thiocane
CID 176604421
2-[[(E)-prop-1-enoxy]methyl]thiocane 1,1-dioxide
CID 176604426

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiocane?
The IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiocane (CID 176604275) is 2-[[(E)-prop-1-enoxy]methyl]thiocane.
What is the SMILES notation for 2-[[(E)-prop-1-enoxy]methyl]thiocane?
The canonical SMILES for 2-[[(E)-prop-1-enoxy]methyl]thiocane is C/C=C/OCC1CCCCCCS1.
What is the InChIKey of 2-[[(E)-prop-1-enoxy]methyl]thiocane?
The InChIKey is FCPXLQRFZGEMPZ-KRXBUXKQSA-N. The full InChI is InChI=1S/C11H20OS/c1-2-8-12-10-11-7-5-3-4-6-9-13-11/h2,8,11H,3-7,9-10H2,1H3/b8-2+.
What are the key properties of 2-[[(E)-prop-1-enoxy]methyl]thiocane?
2-[[(E)-prop-1-enoxy]methyl]thiocane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-prop-1-enoxy]methyl]thiocane is sourced from PubChem (CID 176604275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).