2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane

C14H26OS — CID 176603412

IUPAC2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane
SMILESCCC1(COC=C(C)C)CCCCCCS1
InChIInChI=1S/C14H26OS/c1-4-14(12-15-11-13(2)3)9-7-5-6-8-10-16-14/h11H,4-10,12H2,1-3H3
InChIKeyLZYMTYVYJZOIAD-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.77
Rot. Bonds4

About 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane

2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane (PubChem CID 176603412) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane.

Molecular Properties

Compound Name2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane
PubChem CID176603412
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane
SMILESCCC1(COC=C(C)C)CCCCCCS1
InChIInChI=1S/C14H26OS/c1-4-14(12-15-11-13(2)3)9-7-5-6-8-10-16-14/h11H,4-10,12H2,1-3H3
InChIKeyLZYMTYVYJZOIAD-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.77
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

3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiocane
CID 176602953
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiepane 1-oxide
CID 176602985
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiocane
CID 176603030
3-[2-(2-Methylprop-1-enoxy)ethyl]thiepane
CID 176603106
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiocane 1-oxide
CID 176603128
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane
CID 176603152
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiocane
CID 176603164
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiocane
CID 176603205
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiocane
CID 176603251
3-[2-(2-Methylprop-1-enoxy)ethyl]thiocane 1,1-dioxide
CID 176603320
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiocane 1,1-dioxide
CID 176603388
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiocane
CID 176603401

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane?
The IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane (CID 176603412) is 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane.
What is the SMILES notation for 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane?
The canonical SMILES for 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane is CCC1(COC=C(C)C)CCCCCCS1.
What is the InChIKey of 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane?
The InChIKey is LZYMTYVYJZOIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS/c1-4-14(12-15-11-13(2)3)9-7-5-6-8-10-16-14/h11H,4-10,12H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane?
2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane has a molecular weight of 242.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylprop-1-enoxymethyl)thiocane is sourced from PubChem (CID 176603412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).