4-(2-methylprop-1-enoxymethyl)thiane 1-oxide

C10H18O2S — CID 176603252

IUPAC4-(2-methylprop-1-enoxymethyl)thiane 1-oxide
SMILESCC(C)=COCC1CCS(=O)CC1
InChIInChI=1S/C10H18O2S/c1-9(2)7-12-8-10-3-5-13(11)6-4-10/h7,10H,3-6,8H2,1-2H3
InChIKeyJHCLGURFQLLYCT-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.09
Rot. Bonds3

About 4-(2-methylprop-1-enoxymethyl)thiane 1-oxide

4-(2-methylprop-1-enoxymethyl)thiane 1-oxide (PubChem CID 176603252) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 4-(2-methylprop-1-enoxymethyl)thiane 1-oxide.

Molecular Properties

Compound Name4-(2-methylprop-1-enoxymethyl)thiane 1-oxide
PubChem CID176603252
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name4-(2-methylprop-1-enoxymethyl)thiane 1-oxide
SMILESCC(C)=COCC1CCS(=O)CC1
InChIInChI=1S/C10H18O2S/c1-9(2)7-12-8-10-3-5-13(11)6-4-10/h7,10H,3-6,8H2,1-2H3
InChIKeyJHCLGURFQLLYCT-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.09
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

4-(Prop-1-en-2-yloxymethyl)thiane 1,1-dioxide
CID 167172166
4-(2-Methylprop-1-enoxymethyl)thiane
CID 176602946
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176602955
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane 1,4-dioxide
CID 176602977
2-Ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176602988
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiane 1-oxide
CID 176602999
4-Ethyl-4-(2-methylprop-1-enoxymethyl)thiane
CID 176603000
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603004
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]thiane 1-oxide
CID 176603005
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane 1,4-dioxide
CID 176603044
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603045

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-1-enoxymethyl)thiane 1-oxide?
The IUPAC name of 4-(2-methylprop-1-enoxymethyl)thiane 1-oxide (CID 176603252) is 4-(2-methylprop-1-enoxymethyl)thiane 1-oxide.
What is the SMILES notation for 4-(2-methylprop-1-enoxymethyl)thiane 1-oxide?
The canonical SMILES for 4-(2-methylprop-1-enoxymethyl)thiane 1-oxide is CC(C)=COCC1CCS(=O)CC1.
What is the InChIKey of 4-(2-methylprop-1-enoxymethyl)thiane 1-oxide?
The InChIKey is JHCLGURFQLLYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-9(2)7-12-8-10-3-5-13(11)6-4-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 4-(2-methylprop-1-enoxymethyl)thiane 1-oxide?
4-(2-methylprop-1-enoxymethyl)thiane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-1-enoxymethyl)thiane 1-oxide is sourced from PubChem (CID 176603252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).