cycloheptyloxymethyl-decyl-dimethylazanium

C20H42NO+ — CID 10712689

IUPACcycloheptyloxymethyl-decyl-dimethylazanium
SMILESCCCCCCCCCC[N+](C)(C)COC1CCCCCC1
InChIInChI=1S/C20H42NO/c1-4-5-6-7-8-9-12-15-18-21(2,3)19-22-20-16-13-10-11-14-17-20/h20H,4-19H2,1-3H3/q+1
InChIKeyBTQANHARMKAPGM-UHFFFAOYSA-N
MW312.56 g/mol
LogP5.90
Rot. Bonds12

About cycloheptyloxymethyl-decyl-dimethylazanium

cycloheptyloxymethyl-decyl-dimethylazanium (PubChem CID 10712689) has the molecular formula C20H42NO+ and a molecular weight of 312.56 g/mol. Its IUPAC name is cycloheptyloxymethyl-decyl-dimethylazanium.

Molecular Properties

Compound Namecycloheptyloxymethyl-decyl-dimethylazanium
PubChem CID10712689
Molecular FormulaC20H42NO+
Molecular Weight312.56 g/mol
Exact Mass312.33
IUPAC Namecycloheptyloxymethyl-decyl-dimethylazanium
SMILESCCCCCCCCCC[N+](C)(C)COC1CCCCCC1
InChIInChI=1S/C20H42NO/c1-4-5-6-7-8-9-12-15-18-21(2,3)19-22-20-16-13-10-11-14-17-20/h20H,4-19H2,1-3H3/q+1
InChIKeyBTQANHARMKAPGM-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.56
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

cyclododecyloxymethyl-decyl-dimethylazanium chloride
CID 10645663
butoxymethyl-decyl-dimethylazanium
CID 10494975
decyl-dimethyl-(octoxymethyl)azanium
CID 10406436
octoxycyclopentane
CID 14691467
pentadecoxycyclopentane
CID 155570194
dodecyl-dimethyl-(nonoxymethyl)azanium chloride
CID 3025992
cyclododecyl-dimethyl-nonylazanium
CID 175529320
decyl-dimethyl-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium
CID 11675486
heptyl-dimethyl-[[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]azanium
CID 122512054
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-dimethyl-tetradecylazanium
CID 13075680
heptyl-dimethyl-undecylazanium
CID 122480849

Frequently Asked Questions

What is the IUPAC name of cycloheptyloxymethyl-decyl-dimethylazanium?
The IUPAC name of cycloheptyloxymethyl-decyl-dimethylazanium (CID 10712689) is cycloheptyloxymethyl-decyl-dimethylazanium.
What is the SMILES notation for cycloheptyloxymethyl-decyl-dimethylazanium?
The canonical SMILES for cycloheptyloxymethyl-decyl-dimethylazanium is CCCCCCCCCC[N+](C)(C)COC1CCCCCC1.
What is the InChIKey of cycloheptyloxymethyl-decyl-dimethylazanium?
The InChIKey is BTQANHARMKAPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42NO/c1-4-5-6-7-8-9-12-15-18-21(2,3)19-22-20-16-13-10-11-14-17-20/h20H,4-19H2,1-3H3/q+1.
What are the key properties of cycloheptyloxymethyl-decyl-dimethylazanium?
cycloheptyloxymethyl-decyl-dimethylazanium has a molecular weight of 312.56 g/mol, XLogP of 5.90, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyloxymethyl-decyl-dimethylazanium is sourced from PubChem (CID 10712689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).