4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane

C15H32O2 — CID 87217040

IUPAC4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane
SMILESCOCCC(CC(C)(C)C)(CC(C)(C)C)OC
InChIInChI=1S/C15H32O2/c1-13(2,3)11-15(17-8,9-10-16-7)12-14(4,5)6/h9-12H2,1-8H3
InChIKeyNQFRKGPJXGWWCL-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.28
Rot. Bonds6

About 4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane

4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane (PubChem CID 87217040) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane.

Molecular Properties

Compound Name4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane
PubChem CID87217040
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane
SMILESCOCCC(CC(C)(C)C)(CC(C)(C)C)OC
InChIInChI=1S/C15H32O2/c1-13(2,3)11-15(17-8,9-10-16-7)12-14(4,5)6/h9-12H2,1-8H3
InChIKeyNQFRKGPJXGWWCL-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine
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1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
(4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 137404264
1,1,1-trimethoxy-3,3-dimethylbutane
CID 63890888
5-methoxy-5-(3-methoxypropyl)nonane
CID 141413448
2-bromo-4-methoxy-2-methylbutanenitrile
CID 83090478
2,4-dimethoxy-2-methylbutanenitrile
CID 66072771
1-methoxy-3-(2-methoxyethyl)-3-methylhexane
CID 57212260

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane?
The IUPAC name of 4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane (CID 87217040) is 4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane.
What is the SMILES notation for 4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane?
The canonical SMILES for 4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane is COCCC(CC(C)(C)C)(CC(C)(C)C)OC.
What is the InChIKey of 4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane?
The InChIKey is NQFRKGPJXGWWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-13(2,3)11-15(17-8,9-10-16-7)12-14(4,5)6/h9-12H2,1-8H3.
What are the key properties of 4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane?
4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane has a molecular weight of 244.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane is sourced from PubChem (CID 87217040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).