2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane

C15H30NO+ — CID 58692075

IUPAC2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane
SMILESC[NH+]1C(C)(C)CC2(CCC(C)(C)O2)CC1(C)C
InChIInChI=1S/C15H29NO/c1-12(2)10-15(9-8-14(5,6)17-15)11-13(3,4)16(12)7/h8-11H2,1-7H3/p+1
InChIKeyDLCCLNWLCKMTEB-UHFFFAOYSA-O
MW240.41 g/mol
LogP2.18
Rot. Bonds

About 2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane

2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane (PubChem CID 58692075) has the molecular formula C15H30NO+ and a molecular weight of 240.41 g/mol. Its IUPAC name is 2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane
PubChem CID58692075
Molecular FormulaC15H30NO+
Molecular Weight240.41 g/mol
Exact Mass240.23
IUPAC Name2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane
SMILESC[NH+]1C(C)(C)CC2(CCC(C)(C)O2)CC1(C)C
InChIInChI=1S/C15H29NO/c1-12(2)10-15(9-8-14(5,6)17-15)11-13(3,4)16(12)7/h8-11H2,1-7H3/p+1
InChIKeyDLCCLNWLCKMTEB-UHFFFAOYSA-O
XLogP2.18
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane?
The IUPAC name of 2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane (CID 58692075) is 2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane.
What is the SMILES notation for 2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane?
The canonical SMILES for 2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane is C[NH+]1C(C)(C)CC2(CCC(C)(C)O2)CC1(C)C.
What is the InChIKey of 2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane?
The InChIKey is DLCCLNWLCKMTEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H29NO/c1-12(2)10-15(9-8-14(5,6)17-15)11-13(3,4)16(12)7/h8-11H2,1-7H3/p+1.
What are the key properties of 2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane?
2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane has a molecular weight of 240.41 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7,8,9,9-heptamethyl-1-oxa-8-azoniaspiro[4.5]decane is sourced from PubChem (CID 58692075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).