6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one

C16H32O2 — CID 11265341

IUPAC6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one
SMILESCCC(=O)CCC(C)(C)OC(C)C(C)CC(C)C
InChIInChI=1S/C16H32O2/c1-8-15(17)9-10-16(6,7)18-14(5)13(4)11-12(2)3/h12-14H,8-11H2,1-7H3
InChIKeyDANYXGZGHVNNQL-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.61
Rot. Bonds9

About 6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one

6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one (PubChem CID 11265341) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one
PubChem CID11265341
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one
SMILESCCC(=O)CCC(C)(C)OC(C)C(C)CC(C)C
InChIInChI=1S/C16H32O2/c1-8-15(17)9-10-16(6,7)18-14(5)13(4)11-12(2)3/h12-14H,8-11H2,1-7H3
InChIKeyDANYXGZGHVNNQL-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one?
The IUPAC name of 6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one (CID 11265341) is 6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one.
What is the SMILES notation for 6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one?
The canonical SMILES for 6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one is CCC(=O)CCC(C)(C)OC(C)C(C)CC(C)C.
What is the InChIKey of 6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one?
The InChIKey is DANYXGZGHVNNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-8-15(17)9-10-16(6,7)18-14(5)13(4)11-12(2)3/h12-14H,8-11H2,1-7H3.
What are the key properties of 6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one?
6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one has a molecular weight of 256.43 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one is sourced from PubChem (CID 11265341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).