3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane

C14H29NO — CID 123660579

IUPAC3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane
SMILESCN1CC(C)(C)COCC(C)(C)CC1(C)C
InChIInChI=1S/C14H29NO/c1-12(2)8-14(5,6)15(7)9-13(3,4)11-16-10-12/h8-11H2,1-7H3
InChIKeyFVPTUMXMJMEIBI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.17
Rot. Bonds

About 3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane

3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane (PubChem CID 123660579) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane.

Molecular Properties

Compound Name3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane
PubChem CID123660579
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane
SMILESCN1CC(C)(C)COCC(C)(C)CC1(C)C
InChIInChI=1S/C14H29NO/c1-12(2)8-14(5,6)15(7)9-13(3,4)11-16-10-12/h8-11H2,1-7H3
InChIKeyFVPTUMXMJMEIBI-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane?
The IUPAC name of 3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane (CID 123660579) is 3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane.
What is the SMILES notation for 3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane?
The canonical SMILES for 3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane is CN1CC(C)(C)COCC(C)(C)CC1(C)C.
What is the InChIKey of 3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane?
The InChIKey is FVPTUMXMJMEIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)8-14(5,6)15(7)9-13(3,4)11-16-10-12/h8-11H2,1-7H3.
What are the key properties of 3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane?
3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane has a molecular weight of 227.39 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,6,6,8,8-heptamethyl-1,5-oxazonane is sourced from PubChem (CID 123660579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).