methane;5-methyl-1-(5-methylhexoxy)hexan-2-one

C15H32O2 — CID 158481214

IUPACmethane;5-methyl-1-(5-methylhexoxy)hexan-2-one
SMILESC.CC(C)CCCCOCC(=O)CCC(C)C
InChIInChI=1S/C14H28O2.CH4/c1-12(2)7-5-6-10-16-11-14(15)9-8-13(3)4;/h12-13H,5-11H2,1-4H3;1H4
InChIKeyHHNSGVHHQAZNLB-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.47
Rot. Bonds10

About methane;5-methyl-1-(5-methylhexoxy)hexan-2-one

methane;5-methyl-1-(5-methylhexoxy)hexan-2-one (PubChem CID 158481214) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is methane;5-methyl-1-(5-methylhexoxy)hexan-2-one.

Molecular Properties

Compound Namemethane;5-methyl-1-(5-methylhexoxy)hexan-2-one
PubChem CID158481214
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Namemethane;5-methyl-1-(5-methylhexoxy)hexan-2-one
SMILESC.CC(C)CCCCOCC(=O)CCC(C)C
InChIInChI=1S/C14H28O2.CH4/c1-12(2)7-5-6-10-16-11-14(15)9-8-13(3)4;/h12-13H,5-11H2,1-4H3;1H4
InChIKeyHHNSGVHHQAZNLB-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-one
CID 157179332
1-(2-aminoethoxy)-5-methylhexan-2-one
CID 116590814
1-(10-methylundecoxy)propan-2-one
CID 171604608
14-methyl-1-(3-methylbutoxy)pentadecane-4,8-dione
CID 163560833
3-(8-methylnonoxy)propanoic acid
CID 21270829
7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one
CID 157073137
2-methyl-N-[2-[2-[2-[2-[2-(5-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167576629
4-methyl-1-(6-methylheptoxy)pentan-3-one
CID 118441422
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
1-(6-bromohexoxy)-5-methylhexane
CID 19987541
12-methyltridecyl 4-methylpentanoate
CID 175056359
15-methylhexadecyl 4-methylpentanoate
CID 175048377

Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-1-(5-methylhexoxy)hexan-2-one?
The IUPAC name of methane;5-methyl-1-(5-methylhexoxy)hexan-2-one (CID 158481214) is methane;5-methyl-1-(5-methylhexoxy)hexan-2-one.
What is the SMILES notation for methane;5-methyl-1-(5-methylhexoxy)hexan-2-one?
The canonical SMILES for methane;5-methyl-1-(5-methylhexoxy)hexan-2-one is C.CC(C)CCCCOCC(=O)CCC(C)C.
What is the InChIKey of methane;5-methyl-1-(5-methylhexoxy)hexan-2-one?
The InChIKey is HHNSGVHHQAZNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.CH4/c1-12(2)7-5-6-10-16-11-14(15)9-8-13(3)4;/h12-13H,5-11H2,1-4H3;1H4.
What are the key properties of methane;5-methyl-1-(5-methylhexoxy)hexan-2-one?
methane;5-methyl-1-(5-methylhexoxy)hexan-2-one has a molecular weight of 244.42 g/mol, XLogP of 4.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-1-(5-methylhexoxy)hexan-2-one is sourced from PubChem (CID 158481214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).