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

C10H20OS — CID 21037375

IUPAC2,2-di(propan-2-yl)-1,3-oxathiane
SMILESCC(C)C1(C(C)C)OCCCS1
InChIInChI=1S/C10H20OS/c1-8(2)10(9(3)4)11-6-5-7-12-10/h8-9H,5-7H2,1-4H3
InChIKeyKTPDKVPXDRQAKP-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.15
Rot. Bonds2

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

2,2-di(propan-2-yl)-1,3-oxathiane (PubChem CID 21037375) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)-1,3-oxathiane.

Molecular Properties

Compound Name2,2-di(propan-2-yl)-1,3-oxathiane
PubChem CID21037375
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2,2-di(propan-2-yl)-1,3-oxathiane
SMILESCC(C)C1(C(C)C)OCCCS1
InChIInChI=1S/C10H20OS/c1-8(2)10(9(3)4)11-6-5-7-12-10/h8-9H,5-7H2,1-4H3
InChIKeyKTPDKVPXDRQAKP-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)-1,3-oxathiane?
The IUPAC name of 2,2-di(propan-2-yl)-1,3-oxathiane (CID 21037375) is 2,2-di(propan-2-yl)-1,3-oxathiane.
What is the SMILES notation for 2,2-di(propan-2-yl)-1,3-oxathiane?
The canonical SMILES for 2,2-di(propan-2-yl)-1,3-oxathiane is CC(C)C1(C(C)C)OCCCS1.
What is the InChIKey of 2,2-di(propan-2-yl)-1,3-oxathiane?
The InChIKey is KTPDKVPXDRQAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-8(2)10(9(3)4)11-6-5-7-12-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,2-di(propan-2-yl)-1,3-oxathiane?
2,2-di(propan-2-yl)-1,3-oxathiane has a molecular weight of 188.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)-1,3-oxathiane is sourced from PubChem (CID 21037375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).