2,7,9,9-tetramethyldec-1-en-5-one

C14H26O — CID 115802845

IUPAC2,7,9,9-tetramethyldec-1-en-5-one
SMILESC=C(C)CCC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C14H26O/c1-11(2)7-8-13(15)9-12(3)10-14(4,5)6/h12H,1,7-10H2,2-6H3
InChIKeyRPIBHEBLJMYMQG-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.37
Rot. Bonds6

About 2,7,9,9-tetramethyldec-1-en-5-one

2,7,9,9-tetramethyldec-1-en-5-one (PubChem CID 115802845) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,7,9,9-tetramethyldec-1-en-5-one.

Molecular Properties

Compound Name2,7,9,9-tetramethyldec-1-en-5-one
PubChem CID115802845
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2,7,9,9-tetramethyldec-1-en-5-one
SMILESC=C(C)CCC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C14H26O/c1-11(2)7-8-13(15)9-12(3)10-14(4,5)6/h12H,1,7-10H2,2-6H3
InChIKeyRPIBHEBLJMYMQG-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-amino-2,9,9-trimethyldec-1-en-5-one
CID 114478091
CID 5484103
CID 5484103
3,5,5-trimethylhexanoic acid;zirconium
CID 174506676
manganese;3,5,5-trimethylhexanoic acid
CID 170844741
(3R)-3,5,5-trimethylhexanoyl chloride
CID 7171810
zinc bis(3,5,5-trimethylhexanoate)
CID 20846402
[(3R)-3,5,5-trimethylhexanoyl] (3S)-3,5,5-trimethylhexaneperoxoate
CID 98080102
2,8-dimethylnon-1-en-5-one
CID 114473507
2-(3,5,5-trimethylhexanoyloxy)ethyl 3,5,5-trimethylhexanoate
CID 91728705
iron(2+);iron(3+);pentakis(3,5,5-trimethylhexanoate)
CID 90474779
3,5,5-trimethyl-N-(3-oxobutan-2-yl)hexanamide
CID 64997307
5,7,7-trimethyl-2-methylideneoctanamide
CID 135222776

Frequently Asked Questions

What is the IUPAC name of 2,7,9,9-tetramethyldec-1-en-5-one?
The IUPAC name of 2,7,9,9-tetramethyldec-1-en-5-one (CID 115802845) is 2,7,9,9-tetramethyldec-1-en-5-one.
What is the SMILES notation for 2,7,9,9-tetramethyldec-1-en-5-one?
The canonical SMILES for 2,7,9,9-tetramethyldec-1-en-5-one is C=C(C)CCC(=O)CC(C)CC(C)(C)C.
What is the InChIKey of 2,7,9,9-tetramethyldec-1-en-5-one?
The InChIKey is RPIBHEBLJMYMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(2)7-8-13(15)9-12(3)10-14(4,5)6/h12H,1,7-10H2,2-6H3.
What are the key properties of 2,7,9,9-tetramethyldec-1-en-5-one?
2,7,9,9-tetramethyldec-1-en-5-one has a molecular weight of 210.36 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9,9-tetramethyldec-1-en-5-one is sourced from PubChem (CID 115802845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).