6,6-dimethyl-3-methylidene-1,4-oxazepane

C8H15NO — CID 142074101

IUPAC6,6-dimethyl-3-methylidene-1,4-oxazepane
SMILESC=C1COCC(C)(C)CN1
InChIInChI=1S/C8H15NO/c1-7-4-10-6-8(2,3)5-9-7/h9H,1,4-6H2,2-3H3
InChIKeyVSERCFHRKCPBPK-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.15
Rot. Bonds

About 6,6-dimethyl-3-methylidene-1,4-oxazepane

6,6-dimethyl-3-methylidene-1,4-oxazepane (PubChem CID 142074101) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6,6-dimethyl-3-methylidene-1,4-oxazepane.

Molecular Properties

Compound Name6,6-dimethyl-3-methylidene-1,4-oxazepane
PubChem CID142074101
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6,6-dimethyl-3-methylidene-1,4-oxazepane
SMILESC=C1COCC(C)(C)CN1
InChIInChI=1S/C8H15NO/c1-7-4-10-6-8(2,3)5-9-7/h9H,1,4-6H2,2-3H3
InChIKeyVSERCFHRKCPBPK-UHFFFAOYSA-N
XLogP1.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-methylidene-1,4-oxazepane?
The IUPAC name of 6,6-dimethyl-3-methylidene-1,4-oxazepane (CID 142074101) is 6,6-dimethyl-3-methylidene-1,4-oxazepane.
What is the SMILES notation for 6,6-dimethyl-3-methylidene-1,4-oxazepane?
The canonical SMILES for 6,6-dimethyl-3-methylidene-1,4-oxazepane is C=C1COCC(C)(C)CN1.
What is the InChIKey of 6,6-dimethyl-3-methylidene-1,4-oxazepane?
The InChIKey is VSERCFHRKCPBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-4-10-6-8(2,3)5-9-7/h9H,1,4-6H2,2-3H3.
What are the key properties of 6,6-dimethyl-3-methylidene-1,4-oxazepane?
6,6-dimethyl-3-methylidene-1,4-oxazepane has a molecular weight of 141.21 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-methylidene-1,4-oxazepane is sourced from PubChem (CID 142074101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).