4,5,7-triethyl-3-methyl-6-propyldecane

C20H42 — CID 91308748

IUPAC4,5,7-triethyl-3-methyl-6-propyldecane
SMILESCCCC(CC)C(CCC)C(CC)C(CC)C(C)CC
InChIInChI=1S/C20H42/c1-8-14-17(11-4)20(15-9-2)19(13-6)18(12-5)16(7)10-3/h16-20H,8-15H2,1-7H3
InChIKeyKQQFEMIQJKQQIF-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.33
Rot. Bonds12

About 4,5,7-triethyl-3-methyl-6-propyldecane

4,5,7-triethyl-3-methyl-6-propyldecane (PubChem CID 91308748) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 4,5,7-triethyl-3-methyl-6-propyldecane.

Molecular Properties

Compound Name4,5,7-triethyl-3-methyl-6-propyldecane
PubChem CID91308748
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name4,5,7-triethyl-3-methyl-6-propyldecane
SMILESCCCC(CC)C(CCC)C(CC)C(CC)C(C)CC
InChIInChI=1S/C20H42/c1-8-14-17(11-4)20(15-9-2)19(13-6)18(12-5)16(7)10-3/h16-20H,8-15H2,1-7H3
InChIKeyKQQFEMIQJKQQIF-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5,6,7-tetraethyldecane
CID 101052128
3,4,5-triethyloctane
CID 57492611
4,5-diethyloctane
CID 519254
3,4-diethylheptane-2-thiol
CID 174326540
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
3,4-diethyl-N,2-dimethylheptan-1-amine
CID 123701896
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
3,4-diethylheptane;ethane
CID 144734225
tris(3,4-diethylheptane);methane
CID 160558798
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
5-ethyl-2-methyl-4-pentan-3-yloctane
CID 123673781
4-ethyl-5,7-dimethyl-8-propan-2-ylundecane
CID 91173355

Frequently Asked Questions

What is the IUPAC name of 4,5,7-triethyl-3-methyl-6-propyldecane?
The IUPAC name of 4,5,7-triethyl-3-methyl-6-propyldecane (CID 91308748) is 4,5,7-triethyl-3-methyl-6-propyldecane.
What is the SMILES notation for 4,5,7-triethyl-3-methyl-6-propyldecane?
The canonical SMILES for 4,5,7-triethyl-3-methyl-6-propyldecane is CCCC(CC)C(CCC)C(CC)C(CC)C(C)CC.
What is the InChIKey of 4,5,7-triethyl-3-methyl-6-propyldecane?
The InChIKey is KQQFEMIQJKQQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-8-14-17(11-4)20(15-9-2)19(13-6)18(12-5)16(7)10-3/h16-20H,8-15H2,1-7H3.
What are the key properties of 4,5,7-triethyl-3-methyl-6-propyldecane?
4,5,7-triethyl-3-methyl-6-propyldecane has a molecular weight of 282.56 g/mol, XLogP of 7.33, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-triethyl-3-methyl-6-propyldecane is sourced from PubChem (CID 91308748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).