3,3,9,9-tetramethylundecane

C15H32 — CID 20661116

IUPAC3,3,9,9-tetramethylundecane
SMILESCCC(C)(C)CCCCCC(C)(C)CC
InChIInChI=1S/C15H32/c1-7-14(3,4)12-10-9-11-13-15(5,6)8-2/h7-13H2,1-6H3
InChIKeyDHEFLJDNQNAMRF-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds8

About 3,3,9,9-tetramethylundecane

3,3,9,9-tetramethylundecane (PubChem CID 20661116) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 3,3,9,9-tetramethylundecane.

Molecular Properties

Compound Name3,3,9,9-tetramethylundecane
PubChem CID20661116
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name3,3,9,9-tetramethylundecane
SMILESCCC(C)(C)CCCCCC(C)(C)CC
InChIInChI=1S/C15H32/c1-7-14(3,4)12-10-9-11-13-15(5,6)8-2/h7-13H2,1-6H3
InChIKeyDHEFLJDNQNAMRF-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.81
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

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N,N,8,8-tetramethyldecan-1-amine
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16,16,21,21-tetramethylhexatriacontane
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N-(5,5-dimethylheptyl)hydroxylamine
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3,3-dimethylhexane
CID 11233
3,3-dimethylheptane;ethane-1,2-diol
CID 90284341
2,2,16,16-tetramethylheptadecane-1,9,17-triol;2,2,18,18-tetramethylicosane-1,10-diol
CID 159939869
N,8,8-trimethyldecanamide
CID 89097634
1-ethoxy-4,4-dimethylhexane
CID 89037329

Frequently Asked Questions

What is the IUPAC name of 3,3,9,9-tetramethylundecane?
The IUPAC name of 3,3,9,9-tetramethylundecane (CID 20661116) is 3,3,9,9-tetramethylundecane.
What is the SMILES notation for 3,3,9,9-tetramethylundecane?
The canonical SMILES for 3,3,9,9-tetramethylundecane is CCC(C)(C)CCCCCC(C)(C)CC.
What is the InChIKey of 3,3,9,9-tetramethylundecane?
The InChIKey is DHEFLJDNQNAMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-7-14(3,4)12-10-9-11-13-15(5,6)8-2/h7-13H2,1-6H3.
What are the key properties of 3,3,9,9-tetramethylundecane?
3,3,9,9-tetramethylundecane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,9,9-tetramethylundecane is sourced from PubChem (CID 20661116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).