7-ethyl-3,5,9-trimethyldodecane

C17H36 — CID 123315944

IUPAC7-ethyl-3,5,9-trimethyldodecane
SMILESCCCC(C)CC(CC)CC(C)CC(C)CC
InChIInChI=1S/C17H36/c1-7-10-15(5)12-17(9-3)13-16(6)11-14(4)8-2/h14-17H,7-13H2,1-6H3
InChIKeyCXGZVPUUOHGAJV-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.30
Rot. Bonds10

About 7-ethyl-3,5,9-trimethyldodecane

7-ethyl-3,5,9-trimethyldodecane (PubChem CID 123315944) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 7-ethyl-3,5,9-trimethyldodecane.

Molecular Properties

Compound Name7-ethyl-3,5,9-trimethyldodecane
PubChem CID123315944
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name7-ethyl-3,5,9-trimethyldodecane
SMILESCCCC(C)CC(CC)CC(C)CC(C)CC
InChIInChI=1S/C17H36/c1-7-10-15(5)12-17(9-3)13-16(6)11-14(4)8-2/h14-17H,7-13H2,1-6H3
InChIKeyCXGZVPUUOHGAJV-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
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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3,5,7,10,12-pentamethyltetradecane
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2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
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3-(bromomethyl)-5-methyloctane
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6-ethyl-4-methyldecane
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(5S)-3-ethyl-5-methylheptane
CID 59094044
4-ethyl-2,6-dimethylnon-1-ene
CID 90949298
2,4,6,8,10-pentamethyltridecane
CID 20715673
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,5,9-trimethyldodecane?
The IUPAC name of 7-ethyl-3,5,9-trimethyldodecane (CID 123315944) is 7-ethyl-3,5,9-trimethyldodecane.
What is the SMILES notation for 7-ethyl-3,5,9-trimethyldodecane?
The canonical SMILES for 7-ethyl-3,5,9-trimethyldodecane is CCCC(C)CC(CC)CC(C)CC(C)CC.
What is the InChIKey of 7-ethyl-3,5,9-trimethyldodecane?
The InChIKey is CXGZVPUUOHGAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-7-10-15(5)12-17(9-3)13-16(6)11-14(4)8-2/h14-17H,7-13H2,1-6H3.
What are the key properties of 7-ethyl-3,5,9-trimethyldodecane?
7-ethyl-3,5,9-trimethyldodecane has a molecular weight of 240.47 g/mol, XLogP of 6.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,5,9-trimethyldodecane is sourced from PubChem (CID 123315944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).