3,3-bis(2-methylpropyl)-1,5-oxazonane

C15H31NO — CID 69327514

IUPAC3,3-bis(2-methylpropyl)-1,5-oxazonane
SMILESCC(C)CC1(CC(C)C)CNCCCCOC1
InChIInChI=1S/C15H31NO/c1-13(2)9-15(10-14(3)4)11-16-7-5-6-8-17-12-15/h13-14,16H,5-12H2,1-4H3
InChIKeyQJAIHQPRQLDNRP-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds4

About 3,3-bis(2-methylpropyl)-1,5-oxazonane

3,3-bis(2-methylpropyl)-1,5-oxazonane (PubChem CID 69327514) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3,3-bis(2-methylpropyl)-1,5-oxazonane.

Molecular Properties

Compound Name3,3-bis(2-methylpropyl)-1,5-oxazonane
PubChem CID69327514
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3,3-bis(2-methylpropyl)-1,5-oxazonane
SMILESCC(C)CC1(CC(C)C)CNCCCCOC1
InChIInChI=1S/C15H31NO/c1-13(2)9-15(10-14(3)4)11-16-7-5-6-8-17-12-15/h13-14,16H,5-12H2,1-4H3
InChIKeyQJAIHQPRQLDNRP-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2-methylpropyl)-1,5-oxazonane?
The IUPAC name of 3,3-bis(2-methylpropyl)-1,5-oxazonane (CID 69327514) is 3,3-bis(2-methylpropyl)-1,5-oxazonane.
What is the SMILES notation for 3,3-bis(2-methylpropyl)-1,5-oxazonane?
The canonical SMILES for 3,3-bis(2-methylpropyl)-1,5-oxazonane is CC(C)CC1(CC(C)C)CNCCCCOC1.
What is the InChIKey of 3,3-bis(2-methylpropyl)-1,5-oxazonane?
The InChIKey is QJAIHQPRQLDNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2)9-15(10-14(3)4)11-16-7-5-6-8-17-12-15/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 3,3-bis(2-methylpropyl)-1,5-oxazonane?
3,3-bis(2-methylpropyl)-1,5-oxazonane has a molecular weight of 241.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-methylpropyl)-1,5-oxazonane is sourced from PubChem (CID 69327514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).