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

C10H20OS — CID 643432

IUPAC(2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane
SMILESCC(C)[C@H]1CO[C@H](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/t9-,10-/m0/s1
InChIKeyPUNCQJVOBVQLAA-UWVGGRQHSA-N
MW188.34 g/mol
LogP3.00
Rot. Bonds2

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

(2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane (PubChem CID 643432) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is (2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane.

Molecular Properties

Compound Name(2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane
PubChem CID643432
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane
SMILESCC(C)[C@H]1CO[C@H](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/t9-,10-/m0/s1
InChIKeyPUNCQJVOBVQLAA-UWVGGRQHSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane?
The IUPAC name of (2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane (CID 643432) is (2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane.
What is the SMILES notation for (2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane?
The canonical SMILES for (2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane is CC(C)[C@H]1CO[C@H](C(C)C)SC1.
What is the InChIKey of (2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane?
The InChIKey is PUNCQJVOBVQLAA-UWVGGRQHSA-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/t9-,10-/m0/s1.
What are the key properties of (2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane?
(2S,5S)-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 (2S,5S)-2,5-di(propan-2-yl)-1,3-oxathiane is sourced from PubChem (CID 643432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).