3,5-diethyl-5-methylundecane

C16H34 — CID 123513202

IUPAC3,5-diethyl-5-methylundecane
SMILESCCCCCCC(C)(CC)CC(CC)CC
InChIInChI=1S/C16H34/c1-6-10-11-12-13-16(5,9-4)14-15(7-2)8-3/h15H,6-14H2,1-5H3
InChIKeyMGMFQAUZHZBHMM-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.20
Rot. Bonds10

About 3,5-diethyl-5-methylundecane

3,5-diethyl-5-methylundecane (PubChem CID 123513202) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 3,5-diethyl-5-methylundecane.

Molecular Properties

Compound Name3,5-diethyl-5-methylundecane
PubChem CID123513202
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name3,5-diethyl-5-methylundecane
SMILESCCCCCCC(C)(CC)CC(CC)CC
InChIInChI=1S/C16H34/c1-6-10-11-12-13-16(5,9-4)14-15(7-2)8-3/h15H,6-14H2,1-5H3
InChIKeyMGMFQAUZHZBHMM-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2,4-dimethylundecane
CID 22481197
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylhentetracontane
CID 123896152
17-methyl-17,19-di(tetradecyl)pentatriacontane
CID 91342880
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
6,6-bis(2-ethylbutyl)undecane
CID 174469307
5-butyl-5-methylpentadecane
CID 174700907

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-5-methylundecane?
The IUPAC name of 3,5-diethyl-5-methylundecane (CID 123513202) is 3,5-diethyl-5-methylundecane.
What is the SMILES notation for 3,5-diethyl-5-methylundecane?
The canonical SMILES for 3,5-diethyl-5-methylundecane is CCCCCCC(C)(CC)CC(CC)CC.
What is the InChIKey of 3,5-diethyl-5-methylundecane?
The InChIKey is MGMFQAUZHZBHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-6-10-11-12-13-16(5,9-4)14-15(7-2)8-3/h15H,6-14H2,1-5H3.
What are the key properties of 3,5-diethyl-5-methylundecane?
3,5-diethyl-5-methylundecane has a molecular weight of 226.45 g/mol, XLogP of 6.20, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-5-methylundecane is sourced from PubChem (CID 123513202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).