[2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate

C24H48O3 — CID 145316987

IUPAC[2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate
SMILESCC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)OC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C24H48O3/c1-19(2,3)15-21(7,8)18(25)26-22(9,10)17-24(13,14)27-23(11,12)16-20(4,5)6/h15-17H2,1-14H3
InChIKeyOIQCLGOUVWQELU-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.17
Rot. Bonds8

About [2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate

[2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate (PubChem CID 145316987) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is [2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate.

Molecular Properties

Compound Name[2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate
PubChem CID145316987
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name[2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate
SMILESCC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)OC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C24H48O3/c1-19(2,3)15-21(7,8)18(25)26-22(9,10)17-24(13,14)27-23(11,12)16-20(4,5)6/h15-17H2,1-14H3
InChIKeyOIQCLGOUVWQELU-UHFFFAOYSA-N
XLogP7.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate with MolForge

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Related Compounds

(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 129171605
(4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 137404264
2,4,4-trimethylpentan-2-yl 2,2-dimethyl-3-oxo-3-(2,4,4-trimethylpentan-2-ylperoxy)propanoate
CID 154107476
2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate
CID 91049611
2-methylbutan-2-yl 4-amino-2,2,4-trimethylpentanoate
CID 123226965
2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate
CID 90048994
2,4,4-trimethylpentan-2-yl 2-methoxyacetate
CID 141070664
ethenyl 2,2,4,4-tetramethylpentanoate
CID 19774400
hexakis(2-methylbutan-2-yl) 1,1,3,5,7,9,11-heptamethyltridecane-1,3,5,7,9,11-hexacarboxylate
CID 130208588
(4-acetyloxy-2,4-dimethylpentan-2-yl) acetate;methane
CID 161391637
methyl 4-acetyloxy-2,2,4-trimethylpentanoate
CID 153354555
2,4,4-trimethylpentan-2-yloxy hydrogen carbonate
CID 88797430

Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate?
The IUPAC name of [2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate (CID 145316987) is [2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate.
What is the SMILES notation for [2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate?
The canonical SMILES for [2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate is CC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)OC(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of [2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate?
The InChIKey is OIQCLGOUVWQELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-19(2,3)15-21(7,8)18(25)26-22(9,10)17-24(13,14)27-23(11,12)16-20(4,5)6/h15-17H2,1-14H3.
What are the key properties of [2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate?
[2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate has a molecular weight of 384.65 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate is sourced from PubChem (CID 145316987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).