2,5-di(propan-2-yl)-1,3-oxathiane

C10H20OS — CID 557698

IUPAC2,5-di(propan-2-yl)-1,3-oxathiane
SMILESCC(C)C1COC(C(C)C)SC1
InChIInChI=1S/C10H20OS/c1-7(2)9-5-11-10(8(3)4)12-6-9/h7-10H,5-6H2,1-4H3
InChIKeyPUNCQJVOBVQLAA-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.00
Rot. Bonds2

About 2,5-di(propan-2-yl)-1,3-oxathiane

2,5-di(propan-2-yl)-1,3-oxathiane (PubChem CID 557698) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3-oxathiane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1,3-oxathiane
PubChem CID557698
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2,5-di(propan-2-yl)-1,3-oxathiane
SMILESCC(C)C1COC(C(C)C)SC1
InChIInChI=1S/C10H20OS/c1-7(2)9-5-11-10(8(3)4)12-6-9/h7-10H,5-6H2,1-4H3
InChIKeyPUNCQJVOBVQLAA-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2-propyl-1,3-oxathiane
CID 46195362
2,4,4-Trimethyl-1,3-oxathiane
CID 18539813
1,3-Oxathiane, 2-ethyl-4,4-dimethyl-
CID 18539814
5-Isopropyl-1,3-oxathiane
CID 12382465
Jmjgrbrvnkjamm-uhfffaoysa-
CID 21578782
5-t-Butyl-1,3-oxathiane
CID 552726
1,3-Oxathiane, 2,5-dimethyl
CID 529078
2-Isopropyl-6-methyl-1,3-oxathiane
CID 544306
1,3-Oxathiane, 2-(1-methylethyl)-
CID 568471
(5R)-2,2-dimethyl-5-propan-2-yl-1,4-oxathiane
CID 10910079
1-[1-(2-Methylpropoxy)ethylsulfanyl]butane
CID 102336795
2-tert-Butyl-1,3-oxathiane
CID 71363781

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3-oxathiane?
The IUPAC name of 2,5-di(propan-2-yl)-1,3-oxathiane (CID 557698) is 2,5-di(propan-2-yl)-1,3-oxathiane.
What is the SMILES notation for 2,5-di(propan-2-yl)-1,3-oxathiane?
The canonical SMILES for 2,5-di(propan-2-yl)-1,3-oxathiane is CC(C)C1COC(C(C)C)SC1.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3-oxathiane?
The InChIKey is PUNCQJVOBVQLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-7(2)9-5-11-10(8(3)4)12-6-9/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-1,3-oxathiane?
2,5-di(propan-2-yl)-1,3-oxathiane has a molecular weight of 188.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1,3-oxathiane is sourced from PubChem (CID 557698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).