6,7-di(propan-2-yl)-1,4-oxazepane

C11H23NO — CID 137487101

IUPAC6,7-di(propan-2-yl)-1,4-oxazepane
SMILESCC(C)C1CNCCOC1C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)10-7-12-5-6-13-11(10)9(3)4/h8-12H,5-7H2,1-4H3
InChIKeyVLMXZHUHEZGOJR-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.90
Rot. Bonds2

About 6,7-di(propan-2-yl)-1,4-oxazepane

6,7-di(propan-2-yl)-1,4-oxazepane (PubChem CID 137487101) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name6,7-di(propan-2-yl)-1,4-oxazepane
PubChem CID137487101
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6,7-di(propan-2-yl)-1,4-oxazepane
SMILESCC(C)C1CNCCOC1C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)10-7-12-5-6-13-11(10)9(3)4/h8-12H,5-7H2,1-4H3
InChIKeyVLMXZHUHEZGOJR-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-di(propan-2-yl)-1,4-oxazepane?
The IUPAC name of 6,7-di(propan-2-yl)-1,4-oxazepane (CID 137487101) is 6,7-di(propan-2-yl)-1,4-oxazepane.
What is the SMILES notation for 6,7-di(propan-2-yl)-1,4-oxazepane?
The canonical SMILES for 6,7-di(propan-2-yl)-1,4-oxazepane is CC(C)C1CNCCOC1C(C)C.
What is the InChIKey of 6,7-di(propan-2-yl)-1,4-oxazepane?
The InChIKey is VLMXZHUHEZGOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)10-7-12-5-6-13-11(10)9(3)4/h8-12H,5-7H2,1-4H3.
What are the key properties of 6,7-di(propan-2-yl)-1,4-oxazepane?
6,7-di(propan-2-yl)-1,4-oxazepane has a molecular weight of 185.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)-1,4-oxazepane is sourced from PubChem (CID 137487101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).