4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one

C15H30O2 — CID 89030369

IUPAC4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one
SMILESCCC(C)(CC)OC(C)C(=O)C(C)(CC)CC
InChIInChI=1S/C15H30O2/c1-8-14(6,9-2)13(16)12(5)17-15(7,10-3)11-4/h12H,8-11H2,1-7H3
InChIKeyKFBFNSDHSFUPAC-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.37
Rot. Bonds8

About 4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one

4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one (PubChem CID 89030369) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one.

Molecular Properties

Compound Name4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one
PubChem CID89030369
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one
SMILESCCC(C)(CC)OC(C)C(=O)C(C)(CC)CC
InChIInChI=1S/C15H30O2/c1-8-14(6,9-2)13(16)12(5)17-15(7,10-3)11-4/h12H,8-11H2,1-7H3
InChIKeyKFBFNSDHSFUPAC-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one?
The IUPAC name of 4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one (CID 89030369) is 4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one.
What is the SMILES notation for 4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one?
The canonical SMILES for 4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one is CCC(C)(CC)OC(C)C(=O)C(C)(CC)CC.
What is the InChIKey of 4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one?
The InChIKey is KFBFNSDHSFUPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-8-14(6,9-2)13(16)12(5)17-15(7,10-3)11-4/h12H,8-11H2,1-7H3.
What are the key properties of 4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one?
4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one has a molecular weight of 242.40 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one is sourced from PubChem (CID 89030369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).