5,5-diethyl-2-propan-2-yl-1,3-oxathiane

C11H22OS — CID 21417749

IUPAC5,5-diethyl-2-propan-2-yl-1,3-oxathiane
SMILESCCC1(CC)COC(C(C)C)SC1
InChIInChI=1S/C11H22OS/c1-5-11(6-2)7-12-10(9(3)4)13-8-11/h9-10H,5-8H2,1-4H3
InChIKeyDKVXKYKHJKUUHX-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.54
Rot. Bonds3

About 5,5-diethyl-2-propan-2-yl-1,3-oxathiane

5,5-diethyl-2-propan-2-yl-1,3-oxathiane (PubChem CID 21417749) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 5,5-diethyl-2-propan-2-yl-1,3-oxathiane.

Molecular Properties

Compound Name5,5-diethyl-2-propan-2-yl-1,3-oxathiane
PubChem CID21417749
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name5,5-diethyl-2-propan-2-yl-1,3-oxathiane
SMILESCCC1(CC)COC(C(C)C)SC1
InChIInChI=1S/C11H22OS/c1-5-11(6-2)7-12-10(9(3)4)13-8-11/h9-10H,5-8H2,1-4H3
InChIKeyDKVXKYKHJKUUHX-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-propan-2-yl-1,3-oxathiane?
The IUPAC name of 5,5-diethyl-2-propan-2-yl-1,3-oxathiane (CID 21417749) is 5,5-diethyl-2-propan-2-yl-1,3-oxathiane.
What is the SMILES notation for 5,5-diethyl-2-propan-2-yl-1,3-oxathiane?
The canonical SMILES for 5,5-diethyl-2-propan-2-yl-1,3-oxathiane is CCC1(CC)COC(C(C)C)SC1.
What is the InChIKey of 5,5-diethyl-2-propan-2-yl-1,3-oxathiane?
The InChIKey is DKVXKYKHJKUUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-5-11(6-2)7-12-10(9(3)4)13-8-11/h9-10H,5-8H2,1-4H3.
What are the key properties of 5,5-diethyl-2-propan-2-yl-1,3-oxathiane?
5,5-diethyl-2-propan-2-yl-1,3-oxathiane has a molecular weight of 202.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-propan-2-yl-1,3-oxathiane is sourced from PubChem (CID 21417749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).