2,4,4,6,6,8-hexamethyl-1,5-oxazocane

C12H25NO — CID 59421231

IUPAC2,4,4,6,6,8-hexamethyl-1,5-oxazocane
SMILESCC1CC(C)(C)NC(C)(C)CC(C)O1
InChIInChI=1S/C12H25NO/c1-9-7-11(3,4)13-12(5,6)8-10(2)14-9/h9-10,13H,7-8H2,1-6H3
InChIKeyQRBDLLDTMFBDSQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds

About 2,4,4,6,6,8-hexamethyl-1,5-oxazocane

2,4,4,6,6,8-hexamethyl-1,5-oxazocane (PubChem CID 59421231) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,4,4,6,6,8-hexamethyl-1,5-oxazocane.

Molecular Properties

Compound Name2,4,4,6,6,8-hexamethyl-1,5-oxazocane
PubChem CID59421231
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,4,4,6,6,8-hexamethyl-1,5-oxazocane
SMILESCC1CC(C)(C)NC(C)(C)CC(C)O1
InChIInChI=1S/C12H25NO/c1-9-7-11(3,4)13-12(5,6)8-10(2)14-9/h9-10,13H,7-8H2,1-6H3
InChIKeyQRBDLLDTMFBDSQ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6,8-hexamethyl-1,5-oxazocane?
The IUPAC name of 2,4,4,6,6,8-hexamethyl-1,5-oxazocane (CID 59421231) is 2,4,4,6,6,8-hexamethyl-1,5-oxazocane.
What is the SMILES notation for 2,4,4,6,6,8-hexamethyl-1,5-oxazocane?
The canonical SMILES for 2,4,4,6,6,8-hexamethyl-1,5-oxazocane is CC1CC(C)(C)NC(C)(C)CC(C)O1.
What is the InChIKey of 2,4,4,6,6,8-hexamethyl-1,5-oxazocane?
The InChIKey is QRBDLLDTMFBDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-7-11(3,4)13-12(5,6)8-10(2)14-9/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 2,4,4,6,6,8-hexamethyl-1,5-oxazocane?
2,4,4,6,6,8-hexamethyl-1,5-oxazocane has a molecular weight of 199.34 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6,8-hexamethyl-1,5-oxazocane is sourced from PubChem (CID 59421231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).