3,5-diethylheptan-2-yl-methyl-propyloxidanium

C15H33O+ — CID 90803998

IUPAC3,5-diethylheptan-2-yl-methyl-propyloxidanium
SMILESCCC[O+](C)C(C)C(CC)CC(CC)CC
InChIInChI=1S/C15H33O/c1-7-11-16(6)13(5)15(10-4)12-14(8-2)9-3/h13-15H,7-12H2,1-6H3/q+1
InChIKeyNAXKMXKNAMXCBH-UHFFFAOYSA-N
MW229.43 g/mol
LogP4.82
Rot. Bonds9

About 3,5-diethylheptan-2-yl-methyl-propyloxidanium

3,5-diethylheptan-2-yl-methyl-propyloxidanium (PubChem CID 90803998) has the molecular formula C15H33O+ and a molecular weight of 229.43 g/mol. Its IUPAC name is 3,5-diethylheptan-2-yl-methyl-propyloxidanium.

Molecular Properties

Compound Name3,5-diethylheptan-2-yl-methyl-propyloxidanium
PubChem CID90803998
Molecular FormulaC15H33O+
Molecular Weight229.43 g/mol
Exact Mass229.25
IUPAC Name3,5-diethylheptan-2-yl-methyl-propyloxidanium
SMILESCCC[O+](C)C(C)C(CC)CC(CC)CC
InChIInChI=1S/C15H33O/c1-7-11-16(6)13(5)15(10-4)12-14(8-2)9-3/h13-15H,7-12H2,1-6H3/q+1
InChIKeyNAXKMXKNAMXCBH-UHFFFAOYSA-N
XLogP4.82
TPSA2.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

3,7-diethyl-5-pentan-3-ylnonane
CID 173210020
6-ethyl-2-methyl-4-pentan-3-yloctane
CID 123821034
3,5-diethyl-N-propylheptan-2-amine
CID 82928149
3,5-diethyl-N-methylheptan-2-amine
CID 82928045
3,5-diethyl-2-methyloctane
CID 57491216
(5S)-3-ethyl-5-methylheptane
CID 59094044
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
(2R)-4-ethyl-N-methyl-N-propan-2-ylhexan-2-amine
CID 89150856
4,5,7-triethylundecane
CID 123222302
4,6-diethyl-2,3,9-trimethyldodecane
CID 123599024
4-ethyl-6-hexan-3-yl-10-methyltridecane
CID 91319415
(1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine
CID 174146484

Frequently Asked Questions

What is the IUPAC name of 3,5-diethylheptan-2-yl-methyl-propyloxidanium?
The IUPAC name of 3,5-diethylheptan-2-yl-methyl-propyloxidanium (CID 90803998) is 3,5-diethylheptan-2-yl-methyl-propyloxidanium.
What is the SMILES notation for 3,5-diethylheptan-2-yl-methyl-propyloxidanium?
The canonical SMILES for 3,5-diethylheptan-2-yl-methyl-propyloxidanium is CCC[O+](C)C(C)C(CC)CC(CC)CC.
What is the InChIKey of 3,5-diethylheptan-2-yl-methyl-propyloxidanium?
The InChIKey is NAXKMXKNAMXCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O/c1-7-11-16(6)13(5)15(10-4)12-14(8-2)9-3/h13-15H,7-12H2,1-6H3/q+1.
What are the key properties of 3,5-diethylheptan-2-yl-methyl-propyloxidanium?
3,5-diethylheptan-2-yl-methyl-propyloxidanium has a molecular weight of 229.43 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethylheptan-2-yl-methyl-propyloxidanium is sourced from PubChem (CID 90803998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).