2,2,9-trimethyl-8-propan-2-yldecan-4-one

C16H32O — CID 167622752

IUPAC2,2,9-trimethyl-8-propan-2-yldecan-4-one
SMILESCC(C)C(CCCC(=O)CC(C)(C)C)C(C)C
InChIInChI=1S/C16H32O/c1-12(2)15(13(3)4)10-8-9-14(17)11-16(5,6)7/h12-13,15H,8-11H2,1-7H3
InChIKeyROKVUZBZHCMSIB-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.09
Rot. Bonds7

About 2,2,9-trimethyl-8-propan-2-yldecan-4-one

2,2,9-trimethyl-8-propan-2-yldecan-4-one (PubChem CID 167622752) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 2,2,9-trimethyl-8-propan-2-yldecan-4-one.

Molecular Properties

Compound Name2,2,9-trimethyl-8-propan-2-yldecan-4-one
PubChem CID167622752
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name2,2,9-trimethyl-8-propan-2-yldecan-4-one
SMILESCC(C)C(CCCC(=O)CC(C)(C)C)C(C)C
InChIInChI=1S/C16H32O/c1-12(2)15(13(3)4)10-8-9-14(17)11-16(5,6)7/h12-13,15H,8-11H2,1-7H3
InChIKeyROKVUZBZHCMSIB-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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8-methyl-1-phenyl-7-propan-2-ylnonan-3-one
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8-hydroxy-2-methylnonan-4-one
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9-amino-2,2-dimethyldecan-5-one
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methyl 6,6-dimethyl-4-oxoheptanoate
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N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 2,2,9-trimethyl-8-propan-2-yldecan-4-one?
The IUPAC name of 2,2,9-trimethyl-8-propan-2-yldecan-4-one (CID 167622752) is 2,2,9-trimethyl-8-propan-2-yldecan-4-one.
What is the SMILES notation for 2,2,9-trimethyl-8-propan-2-yldecan-4-one?
The canonical SMILES for 2,2,9-trimethyl-8-propan-2-yldecan-4-one is CC(C)C(CCCC(=O)CC(C)(C)C)C(C)C.
What is the InChIKey of 2,2,9-trimethyl-8-propan-2-yldecan-4-one?
The InChIKey is ROKVUZBZHCMSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-12(2)15(13(3)4)10-8-9-14(17)11-16(5,6)7/h12-13,15H,8-11H2,1-7H3.
What are the key properties of 2,2,9-trimethyl-8-propan-2-yldecan-4-one?
2,2,9-trimethyl-8-propan-2-yldecan-4-one has a molecular weight of 240.43 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,9-trimethyl-8-propan-2-yldecan-4-one is sourced from PubChem (CID 167622752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).