4,6-diethyl-2,3,9-trimethyldodecane

C19H40 — CID 123599024

IUPAC4,6-diethyl-2,3,9-trimethyldodecane
SMILESCCCC(C)CCC(CC)CC(CC)C(C)C(C)C
InChIInChI=1S/C19H40/c1-8-11-16(6)12-13-18(9-2)14-19(10-3)17(7)15(4)5/h15-19H,8-14H2,1-7H3
InChIKeyLSIWALLLMLLYHS-UHFFFAOYSA-N
MW268.53 g/mol
LogP6.94
Rot. Bonds11

About 4,6-diethyl-2,3,9-trimethyldodecane

4,6-diethyl-2,3,9-trimethyldodecane (PubChem CID 123599024) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 4,6-diethyl-2,3,9-trimethyldodecane.

Molecular Properties

Compound Name4,6-diethyl-2,3,9-trimethyldodecane
PubChem CID123599024
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name4,6-diethyl-2,3,9-trimethyldodecane
SMILESCCCC(C)CCC(CC)CC(CC)C(C)C(C)C
InChIInChI=1S/C19H40/c1-8-11-16(6)12-13-18(9-2)14-19(10-3)17(7)15(4)5/h15-19H,8-14H2,1-7H3
InChIKeyLSIWALLLMLLYHS-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-diethyl-2-methyloctane
CID 57491216
6-ethyl-3,4,9-trimethyldodecane
CID 91130584
4-ethyl-6-hexan-3-yl-10-methyltridecane
CID 91319415
4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine
CID 170849414
5-methyl-2-(3-methylbutan-2-yl)octan-1-ol
CID 23315972
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine
CID 170849412
(3R,6R)-3,6-dimethylnonane
CID 170848352
4-ethyl-2,3,6,8-tetramethylnonane
CID 123780298
9-ethyl-2,2,6,11-tetramethyltetradecane
CID 123159267
4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane
CID 142520741
4-methylheptane
CID 11512

Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-2,3,9-trimethyldodecane?
The IUPAC name of 4,6-diethyl-2,3,9-trimethyldodecane (CID 123599024) is 4,6-diethyl-2,3,9-trimethyldodecane.
What is the SMILES notation for 4,6-diethyl-2,3,9-trimethyldodecane?
The canonical SMILES for 4,6-diethyl-2,3,9-trimethyldodecane is CCCC(C)CCC(CC)CC(CC)C(C)C(C)C.
What is the InChIKey of 4,6-diethyl-2,3,9-trimethyldodecane?
The InChIKey is LSIWALLLMLLYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-8-11-16(6)12-13-18(9-2)14-19(10-3)17(7)15(4)5/h15-19H,8-14H2,1-7H3.
What are the key properties of 4,6-diethyl-2,3,9-trimethyldodecane?
4,6-diethyl-2,3,9-trimethyldodecane has a molecular weight of 268.53 g/mol, XLogP of 6.94, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-2,3,9-trimethyldodecane is sourced from PubChem (CID 123599024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).