3,4,5,9-tetraethylundecane

C19H40 — CID 123539086

IUPAC3,4,5,9-tetraethylundecane
SMILESCCC(CC)CCCC(CC)C(CC)C(CC)CC
InChIInChI=1S/C19H40/c1-7-16(8-2)14-13-15-18(11-5)19(12-6)17(9-3)10-4/h16-19H,7-15H2,1-6H3
InChIKeyWBICQJKXQLKMMS-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.08
Rot. Bonds12

About 3,4,5,9-tetraethylundecane

3,4,5,9-tetraethylundecane (PubChem CID 123539086) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 3,4,5,9-tetraethylundecane.

Molecular Properties

Compound Name3,4,5,9-tetraethylundecane
PubChem CID123539086
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name3,4,5,9-tetraethylundecane
SMILESCCC(CC)CCCC(CC)C(CC)C(CC)CC
InChIInChI=1S/C19H40/c1-7-16(8-2)14-13-15-18(11-5)19(12-6)17(9-3)10-4/h16-19H,7-15H2,1-6H3
InChIKeyWBICQJKXQLKMMS-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

3,7-diethylnonane
CID 22089120
3,4,5-triethyloctane
CID 57492611
3-ethyloctane;propane
CID 143682929
3-ethyl-7-methylnonane
CID 526426
5-ethylheptane-1-thiol
CID 141457634
3,6-diethyloctane
CID 526424
4,5,6,7-tetraethyldecane
CID 101052128
N,7-diethylnonan-3-amine
CID 82925508
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
3-ethylicosane
CID 528487
3-ethylpentacosane
CID 22224239
5-ethyl-4,9,10-tripropyltridecane
CID 21351361

Frequently Asked Questions

What is the IUPAC name of 3,4,5,9-tetraethylundecane?
The IUPAC name of 3,4,5,9-tetraethylundecane (CID 123539086) is 3,4,5,9-tetraethylundecane.
What is the SMILES notation for 3,4,5,9-tetraethylundecane?
The canonical SMILES for 3,4,5,9-tetraethylundecane is CCC(CC)CCCC(CC)C(CC)C(CC)CC.
What is the InChIKey of 3,4,5,9-tetraethylundecane?
The InChIKey is WBICQJKXQLKMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-7-16(8-2)14-13-15-18(11-5)19(12-6)17(9-3)10-4/h16-19H,7-15H2,1-6H3.
What are the key properties of 3,4,5,9-tetraethylundecane?
3,4,5,9-tetraethylundecane has a molecular weight of 268.53 g/mol, XLogP of 7.08, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,9-tetraethylundecane is sourced from PubChem (CID 123539086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).