methane;2,2,7,7-tetramethyloctan-4-one

C14H32O — CID 160856578

IUPACmethane;2,2,7,7-tetramethyloctan-4-one
SMILESC.C.CC(C)(C)CCC(=O)CC(C)(C)C
InChIInChI=1S/C12H24O.2CH4/c1-11(2,3)8-7-10(13)9-12(4,5)6;;/h7-9H2,1-6H3;2*1H4
InChIKeySJYAHVLLFZIVEC-UHFFFAOYSA-N
MW216.41 g/mol
LogP5.09
Rot. Bonds3

About methane;2,2,7,7-tetramethyloctan-4-one

methane;2,2,7,7-tetramethyloctan-4-one (PubChem CID 160856578) has the molecular formula C14H32O and a molecular weight of 216.41 g/mol. Its IUPAC name is methane;2,2,7,7-tetramethyloctan-4-one.

Molecular Properties

Compound Namemethane;2,2,7,7-tetramethyloctan-4-one
PubChem CID160856578
Molecular FormulaC14H32O
Molecular Weight216.41 g/mol
Exact Mass216.25
IUPAC Namemethane;2,2,7,7-tetramethyloctan-4-one
SMILESC.C.CC(C)(C)CCC(=O)CC(C)(C)C
InChIInChI=1S/C12H24O.2CH4/c1-11(2,3)8-7-10(13)9-12(4,5)6;;/h7-9H2,1-6H3;2*1H4
InChIKeySJYAHVLLFZIVEC-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,14,14-tetramethylpentadecane-4,12-dione
CID 158540576
1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-5,5-dimethylhexan-3-one
CID 176880291
1-amino-4,4-dimethylpentan-2-one
CID 54132585
2,7,7-trimethyloctan-4-one
CID 62619842
methyl 6,6-dimethyl-4-oxoheptanoate
CID 13350540
(7,7-dimethyl-4-oxooctyl) 3,3-dimethylbutanoate
CID 163644579
1-tert-butylsulfanyl-5,5-dimethylhexan-2-one
CID 65133303
2,2-dimethyldodecane-5,8-dione
CID 13333855
N-(2,2-dimethylpropyl)-3,3-dimethylbutanamide;bis(N-(2,2-dimethylpropyl)-6,6-dimethyl-4-oxoheptanamide);hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;2,2,7,7-tetramethyloctan-4-one
CID 167540844
N-tert-butylcyclopropanamine;2,2,7,7-tetramethyloctan-4-one;N,N,4,4-tetramethylpentan-1-amine
CID 167538898
2,2-dimethyldodecan-5-one
CID 114970047
4,4-dimethyl-1-methylsulfinylpentan-2-one
CID 14489832

Frequently Asked Questions

What is the IUPAC name of methane;2,2,7,7-tetramethyloctan-4-one?
The IUPAC name of methane;2,2,7,7-tetramethyloctan-4-one (CID 160856578) is methane;2,2,7,7-tetramethyloctan-4-one.
What is the SMILES notation for methane;2,2,7,7-tetramethyloctan-4-one?
The canonical SMILES for methane;2,2,7,7-tetramethyloctan-4-one is C.C.CC(C)(C)CCC(=O)CC(C)(C)C.
What is the InChIKey of methane;2,2,7,7-tetramethyloctan-4-one?
The InChIKey is SJYAHVLLFZIVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.2CH4/c1-11(2,3)8-7-10(13)9-12(4,5)6;;/h7-9H2,1-6H3;2*1H4.
What are the key properties of methane;2,2,7,7-tetramethyloctan-4-one?
methane;2,2,7,7-tetramethyloctan-4-one has a molecular weight of 216.41 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,2,7,7-tetramethyloctan-4-one is sourced from PubChem (CID 160856578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).