6-ethyl-2,3,7,7-tetramethylundecane

C17H36 — CID 123852227

IUPAC6-ethyl-2,3,7,7-tetramethylundecane
SMILESCCCCC(C)(C)C(CC)CCC(C)C(C)C
InChIInChI=1S/C17H36/c1-8-10-13-17(6,7)16(9-2)12-11-15(5)14(3)4/h14-16H,8-13H2,1-7H3
InChIKeyQTRUCKMZCPEKQT-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.30
Rot. Bonds9

About 6-ethyl-2,3,7,7-tetramethylundecane

6-ethyl-2,3,7,7-tetramethylundecane (PubChem CID 123852227) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 6-ethyl-2,3,7,7-tetramethylundecane.

Molecular Properties

Compound Name6-ethyl-2,3,7,7-tetramethylundecane
PubChem CID123852227
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name6-ethyl-2,3,7,7-tetramethylundecane
SMILESCCCCC(C)(C)C(CC)CCC(C)C(C)C
InChIInChI=1S/C17H36/c1-8-10-13-17(6,7)16(9-2)12-11-15(5)14(3)4/h14-16H,8-13H2,1-7H3
InChIKeyQTRUCKMZCPEKQT-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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11-(2-methylheptan-2-yl)docosane
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(3R)-2,3-dimethylheptane;ethane
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2,3-dimethylheptane;ethane
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6-(4,4-difluorobutyl)-5,5-dimethylundecane
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2,3-dimethylnonacosane
CID 71331945
6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane
CID 123656705
2,2,4,4-tetramethyl-3-propan-2-ylnonane
CID 21202923
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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3,7,7-tetramethylundecane?
The IUPAC name of 6-ethyl-2,3,7,7-tetramethylundecane (CID 123852227) is 6-ethyl-2,3,7,7-tetramethylundecane.
What is the SMILES notation for 6-ethyl-2,3,7,7-tetramethylundecane?
The canonical SMILES for 6-ethyl-2,3,7,7-tetramethylundecane is CCCCC(C)(C)C(CC)CCC(C)C(C)C.
What is the InChIKey of 6-ethyl-2,3,7,7-tetramethylundecane?
The InChIKey is QTRUCKMZCPEKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-8-10-13-17(6,7)16(9-2)12-11-15(5)14(3)4/h14-16H,8-13H2,1-7H3.
What are the key properties of 6-ethyl-2,3,7,7-tetramethylundecane?
6-ethyl-2,3,7,7-tetramethylundecane has a molecular weight of 240.47 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3,7,7-tetramethylundecane is sourced from PubChem (CID 123852227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).