(4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate

C15H30O3 — CID 137404264

IUPAC(4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate
SMILESCOCCC(C)(C)OC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H30O3/c1-13(2,3)11-14(4,5)12(16)18-15(6,7)9-10-17-8/h9-11H2,1-8H3
InChIKeyQFSHDCNYHNTWFI-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.81
Rot. Bonds6

About (4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate

(4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate (PubChem CID 137404264) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is (4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate.

Molecular Properties

Compound Name(4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate
PubChem CID137404264
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name(4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate
SMILESCOCCC(C)(C)OC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H30O3/c1-13(2,3)11-14(4,5)12(16)18-15(6,7)9-10-17-8/h9-11H2,1-8H3
InChIKeyQFSHDCNYHNTWFI-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 129171605
[2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate
CID 145316987
[2-methyl-4-(2-methyl-3-oxopentan-2-yl)oxybutan-2-yl] 2,2,4,4,5,5-hexamethylhexanoate
CID 166811189
4-methoxy-N,2,2-trimethylbutanamide
CID 90785811
2-methylbutan-2-yl 4-amino-2,2,4-trimethylpentanoate
CID 123226965
2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate
CID 141354214
4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane
CID 87217040
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate
CID 88896989
methyl 5-methoxy-2,2-dimethylpentanoate
CID 89066099
2,4,4-trimethylpentan-2-yl 2-methoxyacetate
CID 141070664
ethenyl 2,2,4,4-tetramethylpentanoate
CID 19774400
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate?
The IUPAC name of (4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate (CID 137404264) is (4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate.
What is the SMILES notation for (4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate?
The canonical SMILES for (4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate is COCCC(C)(C)OC(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of (4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate?
The InChIKey is QFSHDCNYHNTWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-13(2,3)11-14(4,5)12(16)18-15(6,7)9-10-17-8/h9-11H2,1-8H3.
What are the key properties of (4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate?
(4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate has a molecular weight of 258.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate is sourced from PubChem (CID 137404264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).