2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane

C10H16OS — CID 176603328

IUPAC2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane
SMILESC=COCC1(C)CC2CCC1S2
InChIInChI=1S/C10H16OS/c1-3-11-7-10(2)6-8-4-5-9(10)12-8/h3,8-9H,1,4-7H2,2H3
InChIKeySOSZDQJMCFJZMH-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.82
Rot. Bonds3

About 2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane

2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane (PubChem CID 176603328) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane
PubChem CID176603328
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane
SMILESC=COCC1(C)CC2CCC1S2
InChIInChI=1S/C10H16OS/c1-3-11-7-10(2)6-8-4-5-9(10)12-8/h3,8-9H,1,4-7H2,2H3
InChIKeySOSZDQJMCFJZMH-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.82
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-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]-7-thiabicyclo[2.2.1]heptane
CID 176603460
2-(3-ethenoxypropyl)-2-ethyl-7-thiabicyclo[2.2.1]heptane
CID 176603943
2-ethyl-2-(2-methylprop-1-enoxymethyl)-7-thiabicyclo[2.2.1]heptane
CID 176604069
2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 141259817
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-7-thiabicyclo[2.2.1]heptane
CID 176605088
3-(ethenoxymethyl)-3-methylthiane
CID 176604505
(2-butan-2-yl-7-thiabicyclo[2.2.1]heptan-2-yl) acetate
CID 177097436
3-(4-methoxybutyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171952054
1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)
CID 66850804
8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177033593
3,3-bis(ethenoxymethyl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 146468830
3-(ethenoxymethyl)-3-methylthiolane 1,1-dioxide
CID 176603416

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane?
The IUPAC name of 2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane (CID 176603328) is 2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane is C=COCC1(C)CC2CCC1S2.
What is the InChIKey of 2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane?
The InChIKey is SOSZDQJMCFJZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-3-11-7-10(2)6-8-4-5-9(10)12-8/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane?
2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane has a molecular weight of 184.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane is sourced from PubChem (CID 176603328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).