5,5,6-trimethylheptan-2-one

C10H20O — CID 24972558

IUPAC5,5,6-trimethylheptan-2-one
SMILESCC(=O)CCC(C)(C)C(C)C
InChIInChI=1S/C10H20O/c1-8(2)10(4,5)7-6-9(3)11/h8H,6-7H2,1-5H3
InChIKeyRGTCRJBAJDYJIV-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.04
Rot. Bonds4

About 5,5,6-trimethylheptan-2-one

5,5,6-trimethylheptan-2-one (PubChem CID 24972558) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 5,5,6-trimethylheptan-2-one.

Molecular Properties

Compound Name5,5,6-trimethylheptan-2-one
PubChem CID24972558
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name5,5,6-trimethylheptan-2-one
SMILESCC(=O)CCC(C)(C)C(C)C
InChIInChI=1S/C10H20O/c1-8(2)10(4,5)7-6-9(3)11/h8H,6-7H2,1-5H3
InChIKeyRGTCRJBAJDYJIV-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,5-Trimethylcyclohexanone
CID 13398
5-Methyl-3-heptanone
CID 7822
4-tert-Butylcyclohexanone
CID 7392
Ethyl iso-amyl ketone
CID 12210
6-Methyl-2-heptanone
CID 13572
2,2,6-Trimethylcyclohexanone
CID 17000
2-Methyl-3-heptanone
CID 25611
2,6,8-Trimethyl-4-nonanone
CID 61057
2-Heptanone, 4,6-dimethyl-
CID 89180
6,10-Dimethylundecan-2-one
CID 95495
4-Methyl-2-heptanone
CID 94317
3-Methyl-4-octanone
CID 4075149

Frequently Asked Questions

What is the IUPAC name of 5,5,6-trimethylheptan-2-one?
The IUPAC name of 5,5,6-trimethylheptan-2-one (CID 24972558) is 5,5,6-trimethylheptan-2-one.
What is the SMILES notation for 5,5,6-trimethylheptan-2-one?
The canonical SMILES for 5,5,6-trimethylheptan-2-one is CC(=O)CCC(C)(C)C(C)C.
What is the InChIKey of 5,5,6-trimethylheptan-2-one?
The InChIKey is RGTCRJBAJDYJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)10(4,5)7-6-9(3)11/h8H,6-7H2,1-5H3.
What are the key properties of 5,5,6-trimethylheptan-2-one?
5,5,6-trimethylheptan-2-one has a molecular weight of 156.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trimethylheptan-2-one is sourced from PubChem (CID 24972558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).