7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane

C20H42 — CID 90819140

IUPAC7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane
SMILESCCC(C)C(C)C(C)CC(CC)C(C(C)C)C(C)CC
InChIInChI=1S/C20H42/c1-10-15(6)18(9)17(8)13-19(12-3)20(14(4)5)16(7)11-2/h14-20H,10-13H2,1-9H3
InChIKeyYNWRATPJWCGTSS-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.04
Rot. Bonds10

About 7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane

7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane (PubChem CID 90819140) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane.

Molecular Properties

Compound Name7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane
PubChem CID90819140
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane
SMILESCCC(C)C(C)C(C)CC(CC)C(C(C)C)C(C)CC
InChIInChI=1S/C20H42/c1-10-15(6)18(9)17(8)13-19(12-3)20(14(4)5)16(7)11-2/h14-20H,10-13H2,1-9H3
InChIKeyYNWRATPJWCGTSS-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane
CID 123419631
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CID 123598520
2,3,6,7-tetramethyl-5-propylnonane
CID 91235316
(4S)-2,3,4-trimethylhexane
CID 58359072
(4R)-3-ethyl-4-methylhexane
CID 59954491
3,4-diethyl-6,7,8,11-tetramethyltridecane
CID 123415762
3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
CID 57493037
3,4,5,6,8-pentamethyldecane
CID 123810037
3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane
CID 165016406
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
3,5-diethyl-4,6,7-trimethylnonane
CID 123912873
7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane
CID 58013693

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane?
The IUPAC name of 7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane (CID 90819140) is 7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane.
What is the SMILES notation for 7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane?
The canonical SMILES for 7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane is CCC(C)C(C)C(C)CC(CC)C(C(C)C)C(C)CC.
What is the InChIKey of 7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane?
The InChIKey is YNWRATPJWCGTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-10-15(6)18(9)17(8)13-19(12-3)20(14(4)5)16(7)11-2/h14-20H,10-13H2,1-9H3.
What are the key properties of 7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane?
7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane has a molecular weight of 282.56 g/mol, XLogP of 7.04, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane is sourced from PubChem (CID 90819140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).