4,4,6,6-tetramethyl-1,5-oxazocane

C10H21NO — CID 59421161

IUPAC4,4,6,6-tetramethyl-1,5-oxazocane
SMILESCC1(C)CCOCCC(C)(C)N1
InChIInChI=1S/C10H21NO/c1-9(2)5-7-12-8-6-10(3,4)11-9/h11H,5-8H2,1-4H3
InChIKeyNWQFSOYPBPZHSC-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds

About 4,4,6,6-tetramethyl-1,5-oxazocane

4,4,6,6-tetramethyl-1,5-oxazocane (PubChem CID 59421161) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-1,5-oxazocane.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-1,5-oxazocane
PubChem CID59421161
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4,4,6,6-tetramethyl-1,5-oxazocane
SMILESCC1(C)CCOCCC(C)(C)N1
InChIInChI=1S/C10H21NO/c1-9(2)5-7-12-8-6-10(3,4)11-9/h11H,5-8H2,1-4H3
InChIKeyNWQFSOYPBPZHSC-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(2-methoxyethoxy)-2-methylbutan-2-amine
CID 53728564
2,4,4,6,6,8-Hexamethyl-1,5-oxazocane
CID 59421231
N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 134458448
N-tert-butyl-2-methyl-4-propan-2-yloxybutan-2-amine
CID 166110640

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethyl-1,5-oxazocane?
The IUPAC name of 4,4,6,6-tetramethyl-1,5-oxazocane (CID 59421161) is 4,4,6,6-tetramethyl-1,5-oxazocane.
What is the SMILES notation for 4,4,6,6-tetramethyl-1,5-oxazocane?
The canonical SMILES for 4,4,6,6-tetramethyl-1,5-oxazocane is CC1(C)CCOCCC(C)(C)N1.
What is the InChIKey of 4,4,6,6-tetramethyl-1,5-oxazocane?
The InChIKey is NWQFSOYPBPZHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)5-7-12-8-6-10(3,4)11-9/h11H,5-8H2,1-4H3.
What are the key properties of 4,4,6,6-tetramethyl-1,5-oxazocane?
4,4,6,6-tetramethyl-1,5-oxazocane has a molecular weight of 171.28 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-1,5-oxazocane is sourced from PubChem (CID 59421161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).