6-ethyl-3,4,9-trimethyldodecane

C17H36 — CID 91130584

IUPAC6-ethyl-3,4,9-trimethyldodecane
SMILESCCCC(C)CCC(CC)CC(C)C(C)CC
InChIInChI=1S/C17H36/c1-7-10-14(4)11-12-17(9-3)13-16(6)15(5)8-2/h14-17H,7-13H2,1-6H3
InChIKeyUKDIBYCCXXDQAA-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.30
Rot. Bonds10

About 6-ethyl-3,4,9-trimethyldodecane

6-ethyl-3,4,9-trimethyldodecane (PubChem CID 91130584) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 6-ethyl-3,4,9-trimethyldodecane.

Molecular Properties

Compound Name6-ethyl-3,4,9-trimethyldodecane
PubChem CID91130584
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name6-ethyl-3,4,9-trimethyldodecane
SMILESCCCC(C)CCC(CC)CC(C)C(C)CC
InChIInChI=1S/C17H36/c1-7-10-14(4)11-12-17(9-3)13-16(6)15(5)8-2/h14-17H,7-13H2,1-6H3
InChIKeyUKDIBYCCXXDQAA-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

4,6-diethyl-2,3,9-trimethyldodecane
CID 123599024
6-ethyl-4-methyldecane
CID 22224210
7-butyl-4-methylundecane
CID 59977721
(3R,6R)-3,6-dimethylnonane
CID 170848352
2,4,5,8-tetramethylundecane
CID 123839422
9-ethyl-2,2,6,11-tetramethyltetradecane
CID 123159267
8-ethyl-4,6-dimethyldodecane
CID 123186055
4-ethyl-6-hexan-3-yl-10-methyltridecane
CID 91319415
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
3,4,5,9-tetramethyl-7-propyldodecane
CID 91586333
3-ethyl-6-methyldecane
CID 57490928

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,4,9-trimethyldodecane?
The IUPAC name of 6-ethyl-3,4,9-trimethyldodecane (CID 91130584) is 6-ethyl-3,4,9-trimethyldodecane.
What is the SMILES notation for 6-ethyl-3,4,9-trimethyldodecane?
The canonical SMILES for 6-ethyl-3,4,9-trimethyldodecane is CCCC(C)CCC(CC)CC(C)C(C)CC.
What is the InChIKey of 6-ethyl-3,4,9-trimethyldodecane?
The InChIKey is UKDIBYCCXXDQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-7-10-14(4)11-12-17(9-3)13-16(6)15(5)8-2/h14-17H,7-13H2,1-6H3.
What are the key properties of 6-ethyl-3,4,9-trimethyldodecane?
6-ethyl-3,4,9-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 6-ethyl-3,4,9-trimethyldodecane is sourced from PubChem (CID 91130584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).