2-propan-2-yl-1,4-oxazepane

C8H17NO — CID 82594498

IUPAC2-propan-2-yl-1,4-oxazepane
SMILESCC(C)C1CNCCCO1
InChIInChI=1S/C8H17NO/c1-7(2)8-6-9-4-3-5-10-8/h7-9H,3-6H2,1-2H3
InChIKeyJPYYBLAUULIEFR-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds1

About 2-propan-2-yl-1,4-oxazepane

2-propan-2-yl-1,4-oxazepane (PubChem CID 82594498) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-propan-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name2-propan-2-yl-1,4-oxazepane
PubChem CID82594498
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-propan-2-yl-1,4-oxazepane
SMILESCC(C)C1CNCCCO1
InChIInChI=1S/C8H17NO/c1-7(2)8-6-9-4-3-5-10-8/h7-9H,3-6H2,1-2H3
InChIKeyJPYYBLAUULIEFR-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,4-oxazepane?
The IUPAC name of 2-propan-2-yl-1,4-oxazepane (CID 82594498) is 2-propan-2-yl-1,4-oxazepane.
What is the SMILES notation for 2-propan-2-yl-1,4-oxazepane?
The canonical SMILES for 2-propan-2-yl-1,4-oxazepane is CC(C)C1CNCCCO1.
What is the InChIKey of 2-propan-2-yl-1,4-oxazepane?
The InChIKey is JPYYBLAUULIEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)8-6-9-4-3-5-10-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,4-oxazepane?
2-propan-2-yl-1,4-oxazepane has a molecular weight of 143.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 82594498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).