4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane

C10H20OS — CID 20582804

IUPAC4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane
SMILESCC(C)CC1OCCC(C)(C)S1
InChIInChI=1S/C10H20OS/c1-8(2)7-9-11-6-5-10(3,4)12-9/h8-9H,5-7H2,1-4H3
InChIKeyHJSUEQJGHHVTIQ-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.29
Rot. Bonds2

About 4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane

4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane (PubChem CID 20582804) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane
PubChem CID20582804
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane
SMILESCC(C)CC1OCCC(C)(C)S1
InChIInChI=1S/C10H20OS/c1-8(2)7-9-11-6-5-10(3,4)12-9/h8-9H,5-7H2,1-4H3
InChIKeyHJSUEQJGHHVTIQ-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane?
The IUPAC name of 4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane (CID 20582804) is 4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane?
The canonical SMILES for 4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane is CC(C)CC1OCCC(C)(C)S1.
What is the InChIKey of 4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane?
The InChIKey is HJSUEQJGHHVTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-8(2)7-9-11-6-5-10(3,4)12-9/h8-9H,5-7H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane?
4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane has a molecular weight of 188.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylpropyl)-1,3-oxathiane is sourced from PubChem (CID 20582804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).