2-(ethenoxymethyl)-2-methylthiane

C9H16OS — CID 176604457

IUPAC2-(ethenoxymethyl)-2-methylthiane
SMILESC=COCC1(C)CCCCS1
InChIInChI=1S/C9H16OS/c1-3-10-8-9(2)6-4-5-7-11-9/h3H,1,4-8H2,2H3
InChIKeyOEEZMRYYXZZNNT-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.82
Rot. Bonds3

About 2-(ethenoxymethyl)-2-methylthiane

2-(ethenoxymethyl)-2-methylthiane (PubChem CID 176604457) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-methylthiane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-methylthiane
PubChem CID176604457
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(ethenoxymethyl)-2-methylthiane
SMILESC=COCC1(C)CCCCS1
InChIInChI=1S/C9H16OS/c1-3-10-8-9(2)6-4-5-7-11-9/h3H,1,4-8H2,2H3
InChIKeyOEEZMRYYXZZNNT-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
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-(3-Methylbutyl)-4-propyl-1,3-oxathiane
CID 57958757
2,4-Dimethyl-4-propyl-1,3-oxathiane
CID 69102662
4,4-Dimethyl-2-pentyl-1,3-oxathiane
CID 70178277
3-(Ethenoxymethyl)thiane
CID 176602945
2-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dithiane
CID 176603224
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
3-(Ethenoxymethyl)-3-ethylthiane
CID 176603344
2-(1-Ethenoxyethyl)thiane
CID 176603431
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiane
CID 176603503
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603601

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-methylthiane?
The IUPAC name of 2-(ethenoxymethyl)-2-methylthiane (CID 176604457) is 2-(ethenoxymethyl)-2-methylthiane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-methylthiane?
The canonical SMILES for 2-(ethenoxymethyl)-2-methylthiane is C=COCC1(C)CCCCS1.
What is the InChIKey of 2-(ethenoxymethyl)-2-methylthiane?
The InChIKey is OEEZMRYYXZZNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-3-10-8-9(2)6-4-5-7-11-9/h3H,1,4-8H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-2-methylthiane?
2-(ethenoxymethyl)-2-methylthiane has a molecular weight of 172.29 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-methylthiane is sourced from PubChem (CID 176604457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).