2,3,3,10-tetramethylundecan-4-one

C15H30O — CID 161336614

IUPAC2,3,3,10-tetramethylundecan-4-one
SMILESCC(C)CCCCCC(=O)C(C)(C)C(C)C
InChIInChI=1S/C15H30O/c1-12(2)10-8-7-9-11-14(16)15(5,6)13(3)4/h12-13H,7-11H2,1-6H3
InChIKeyYODBIBPXTDPNEU-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.84
Rot. Bonds8

About 2,3,3,10-tetramethylundecan-4-one

2,3,3,10-tetramethylundecan-4-one (PubChem CID 161336614) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2,3,3,10-tetramethylundecan-4-one.

Molecular Properties

Compound Name2,3,3,10-tetramethylundecan-4-one
PubChem CID161336614
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2,3,3,10-tetramethylundecan-4-one
SMILESCC(C)CCCCCC(=O)C(C)(C)C(C)C
InChIInChI=1S/C15H30O/c1-12(2)10-8-7-9-11-14(16)15(5,6)13(3)4/h12-13H,7-11H2,1-6H3
InChIKeyYODBIBPXTDPNEU-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5,6-trimethyl-1-(3-methylbutoxy)heptan-4-one
CID 161336615
18-methylnonadecan-2-one
CID 90921447
2,16-dimethylheptadecan-6-one
CID 158111781
16-methylheptadecanoic acid
CID 87200881
8-methylnonan-2-one
CID 528744
sodium;hydride;6-methylheptanoic acid
CID 174475906
8-methylnonanoic acid;zinc
CID 175431403
azane;16-methylheptadecanoic acid
CID 161380406
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
11-methyldodecanethioic S-acid
CID 172636050
7,7,14-trimethylpentadecanoic acid
CID 91490028

Frequently Asked Questions

What is the IUPAC name of 2,3,3,10-tetramethylundecan-4-one?
The IUPAC name of 2,3,3,10-tetramethylundecan-4-one (CID 161336614) is 2,3,3,10-tetramethylundecan-4-one.
What is the SMILES notation for 2,3,3,10-tetramethylundecan-4-one?
The canonical SMILES for 2,3,3,10-tetramethylundecan-4-one is CC(C)CCCCCC(=O)C(C)(C)C(C)C.
What is the InChIKey of 2,3,3,10-tetramethylundecan-4-one?
The InChIKey is YODBIBPXTDPNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-12(2)10-8-7-9-11-14(16)15(5,6)13(3)4/h12-13H,7-11H2,1-6H3.
What are the key properties of 2,3,3,10-tetramethylundecan-4-one?
2,3,3,10-tetramethylundecan-4-one has a molecular weight of 226.40 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,10-tetramethylundecan-4-one is sourced from PubChem (CID 161336614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).