3-ethyl-2,2,3,7,11-pentamethyldodecane

C19H40 — CID 166045645

IUPAC3-ethyl-2,2,3,7,11-pentamethyldodecane
SMILESCCC(C)(CCCC(C)CCCC(C)C)C(C)(C)C
InChIInChI=1S/C19H40/c1-9-19(8,18(5,6)7)15-11-14-17(4)13-10-12-16(2)3/h16-17H,9-15H2,1-8H3
InChIKeyZDIYVVGNUALZCW-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.08
Rot. Bonds9

About 3-ethyl-2,2,3,7,11-pentamethyldodecane

3-ethyl-2,2,3,7,11-pentamethyldodecane (PubChem CID 166045645) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 3-ethyl-2,2,3,7,11-pentamethyldodecane.

Molecular Properties

Compound Name3-ethyl-2,2,3,7,11-pentamethyldodecane
PubChem CID166045645
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name3-ethyl-2,2,3,7,11-pentamethyldodecane
SMILESCCC(C)(CCCC(C)CCCC(C)C)C(C)(C)C
InChIInChI=1S/C19H40/c1-9-19(8,18(5,6)7)15-11-14-17(4)13-10-12-16(2)3/h16-17H,9-15H2,1-8H3
InChIKeyZDIYVVGNUALZCW-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-ethyl-2,2,3,7,11-pentamethyldodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14-methoxy-2,6,10,14-tetramethylhexadecane
CID 91173941
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
2,2-dimethoxy-6,10,14-trimethylpentadecane
CID 118520250
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
2,5,9,13-tetramethyltetradecane
CID 58292409
3,7-dimethyloctan-1-ol;ethanol
CID 175190567
4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane
CID 11748439
2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane
CID 59297460
2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile
CID 3268041
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
2,6,10,15,19-pentamethylhenicosane
CID 6428617

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,3,7,11-pentamethyldodecane?
The IUPAC name of 3-ethyl-2,2,3,7,11-pentamethyldodecane (CID 166045645) is 3-ethyl-2,2,3,7,11-pentamethyldodecane.
What is the SMILES notation for 3-ethyl-2,2,3,7,11-pentamethyldodecane?
The canonical SMILES for 3-ethyl-2,2,3,7,11-pentamethyldodecane is CCC(C)(CCCC(C)CCCC(C)C)C(C)(C)C.
What is the InChIKey of 3-ethyl-2,2,3,7,11-pentamethyldodecane?
The InChIKey is ZDIYVVGNUALZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-9-19(8,18(5,6)7)15-11-14-17(4)13-10-12-16(2)3/h16-17H,9-15H2,1-8H3.
What are the key properties of 3-ethyl-2,2,3,7,11-pentamethyldodecane?
3-ethyl-2,2,3,7,11-pentamethyldodecane has a molecular weight of 268.53 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,3,7,11-pentamethyldodecane is sourced from PubChem (CID 166045645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).