2,2,7-trimethylundecane

C14H30 — CID 57491501

IUPAC2,2,7-trimethylundecane
SMILESCCCCC(C)CCCCC(C)(C)C
InChIInChI=1S/C14H30/c1-6-7-10-13(2)11-8-9-12-14(3,4)5/h13H,6-12H2,1-5H3
InChIKeyRTIIUOWMTJFKQH-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.42
Rot. Bonds7

About 2,2,7-trimethylundecane

2,2,7-trimethylundecane (PubChem CID 57491501) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,2,7-trimethylundecane.

Molecular Properties

Compound Name2,2,7-trimethylundecane
PubChem CID57491501
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,2,7-trimethylundecane
SMILESCCCCC(C)CCCCC(C)(C)C
InChIInChI=1S/C14H30/c1-6-7-10-13(2)11-8-9-12-14(3,4)5/h13H,6-12H2,1-5H3
InChIKeyRTIIUOWMTJFKQH-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.42
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

2,2,5-trimethyldodecane
CID 54169953
2,2,7,13-tetramethyltetradecane
CID 164934007
2,2,13-trimethylpentadecane
CID 150334228
2,2,5-trimethyl-11-propan-2-ylpentadecane
CID 123879989
1-chloro-3,8,8-trimethylnonane
CID 170172988
5,5-dimethylnonane;5-methylnonane
CID 158755954
2,2,6,7-tetramethylundecane
CID 123602815
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,17-dimethylnonacosane
CID 56936184
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384

Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethylundecane?
The IUPAC name of 2,2,7-trimethylundecane (CID 57491501) is 2,2,7-trimethylundecane.
What is the SMILES notation for 2,2,7-trimethylundecane?
The canonical SMILES for 2,2,7-trimethylundecane is CCCCC(C)CCCCC(C)(C)C.
What is the InChIKey of 2,2,7-trimethylundecane?
The InChIKey is RTIIUOWMTJFKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-6-7-10-13(2)11-8-9-12-14(3,4)5/h13H,6-12H2,1-5H3.
What are the key properties of 2,2,7-trimethylundecane?
2,2,7-trimethylundecane has a molecular weight of 198.39 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7-trimethylundecane is sourced from PubChem (CID 57491501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).