7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane

C20H42 — CID 123419631

IUPAC7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane
SMILESCCC(CC(C)C(C)C(C)C(C)C)C(C(C)C)C(C)C
InChIInChI=1S/C20H42/c1-11-19(20(14(4)5)15(6)7)12-16(8)18(10)17(9)13(2)3/h13-20H,11-12H2,1-10H3
InChIKeyOUEASLVLPSBZAK-UHFFFAOYSA-N
MW282.56 g/mol
LogP6.90
Rot. Bonds9

About 7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane

7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane (PubChem CID 123419631) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane.

Molecular Properties

Compound Name7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane
PubChem CID123419631
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane
SMILESCCC(CC(C)C(C)C(C)C(C)C)C(C(C)C)C(C)C
InChIInChI=1S/C20H42/c1-11-19(20(14(4)5)15(6)7)12-16(8)18(10)17(9)13(2)3/h13-20H,11-12H2,1-10H3
InChIKeyOUEASLVLPSBZAK-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane
CID 90819140
5-ethyl-2,3,4-trimethylheptane
CID 53428868
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane
CID 20659071
5-ethyl-2,3,4,7-tetramethyloctane
CID 57492474
7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane
CID 58013693
5-hexan-3-yl-2,3,4,6,8-pentamethylnonane
CID 123283653
4-ethyl-2-methyl-3-propan-2-ylheptane
CID 57491433
3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane
CID 165016406
4-butan-2-yl-2,3,5,6-tetramethylheptane
CID 123598520
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
(4S)-2,3,4-trimethylhexane
CID 58359072
7-ethyl-2,3,4,8-tetramethylnonane
CID 123811114

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane?
The IUPAC name of 7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane (CID 123419631) is 7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane.
What is the SMILES notation for 7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane?
The canonical SMILES for 7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane is CCC(CC(C)C(C)C(C)C(C)C)C(C(C)C)C(C)C.
What is the InChIKey of 7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane?
The InChIKey is OUEASLVLPSBZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-11-19(20(14(4)5)15(6)7)12-16(8)18(10)17(9)13(2)3/h13-20H,11-12H2,1-10H3.
What are the key properties of 7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane?
7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane has a molecular weight of 282.56 g/mol, XLogP of 6.90, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane is sourced from PubChem (CID 123419631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).