1-deuteriononadecane

C19H40 — CID 175850975

IUPAC1-deuteriononadecane
SMILES[2H]CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3/i1D
InChIKeyLQERIDTXQFOHKA-MICDWDOJSA-N
MW269.54 g/mol
LogP7.66
Rot. Bonds17

About 1-deuteriononadecane

1-deuteriononadecane (PubChem CID 175850975) has the molecular formula C19H40 and a molecular weight of 269.54 g/mol. Its IUPAC name is 1-deuteriononadecane.

Molecular Properties

Compound Name1-deuteriononadecane
PubChem CID175850975
Molecular FormulaC19H40
Molecular Weight269.54 g/mol
Exact Mass269.32
IUPAC Name1-deuteriononadecane
SMILES[2H]CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3/i1D
InChIKeyLQERIDTXQFOHKA-MICDWDOJSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.54
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-deuteriononadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-deuteriodecane
CID 10877229
1-deuterioheptane
CID 59547460
1,7-dideuterioheptane
CID 150574490
1,16-dideuteriohexadecane
CID 150004781
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of 1-deuteriononadecane?
The IUPAC name of 1-deuteriononadecane (CID 175850975) is 1-deuteriononadecane.
What is the SMILES notation for 1-deuteriononadecane?
The canonical SMILES for 1-deuteriononadecane is [2H]CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-deuteriononadecane?
The InChIKey is LQERIDTXQFOHKA-MICDWDOJSA-N. The full InChI is InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3/i1D.
What are the key properties of 1-deuteriononadecane?
1-deuteriononadecane has a molecular weight of 269.54 g/mol, XLogP of 7.66, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuteriononadecane is sourced from PubChem (CID 175850975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).