7-(2-methylpropoxy)heptan-2-one

C11H22O2 — CID 170366767

IUPAC7-(2-methylpropoxy)heptan-2-one
SMILESCC(=O)CCCCCOCC(C)C
InChIInChI=1S/C11H22O2/c1-10(2)9-13-8-6-4-5-7-11(3)12/h10H,4-9H2,1-3H3
InChIKeyMKTWQYXJOQQUAZ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds8

About 7-(2-methylpropoxy)heptan-2-one

7-(2-methylpropoxy)heptan-2-one (PubChem CID 170366767) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 7-(2-methylpropoxy)heptan-2-one.

Molecular Properties

Compound Name7-(2-methylpropoxy)heptan-2-one
PubChem CID170366767
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name7-(2-methylpropoxy)heptan-2-one
SMILESCC(=O)CCCCCOCC(C)C
InChIInChI=1S/C11H22O2/c1-10(2)9-13-8-6-4-5-7-11(3)12/h10H,4-9H2,1-3H3
InChIKeyMKTWQYXJOQQUAZ-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.81
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

9-(hydroxymethoxy)nonan-2-one
CID 171562629
7-hexoxyheptan-2-one
CID 122428493
11-butoxyundecan-2-one
CID 175547866
5-(4-methylpentoxy)pentan-2-one
CID 43793745
7-(6-aminohexoxy)heptan-2-one
CID 146201806
6-methyl-1-[2-(2-methylpropoxy)ethoxy]heptan-4-one
CID 159838894
(Z)-20-(2,3-dihydroxypropoxy)icos-11-en-2-one
CID 87949227
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
5-(2,3-dihydroxypropoxy)pentan-2-one
CID 87130954
1-(2-methylpropoxy)tridecane
CID 91526471

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropoxy)heptan-2-one?
The IUPAC name of 7-(2-methylpropoxy)heptan-2-one (CID 170366767) is 7-(2-methylpropoxy)heptan-2-one.
What is the SMILES notation for 7-(2-methylpropoxy)heptan-2-one?
The canonical SMILES for 7-(2-methylpropoxy)heptan-2-one is CC(=O)CCCCCOCC(C)C.
What is the InChIKey of 7-(2-methylpropoxy)heptan-2-one?
The InChIKey is MKTWQYXJOQQUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(2)9-13-8-6-4-5-7-11(3)12/h10H,4-9H2,1-3H3.
What are the key properties of 7-(2-methylpropoxy)heptan-2-one?
7-(2-methylpropoxy)heptan-2-one has a molecular weight of 186.29 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropoxy)heptan-2-one is sourced from PubChem (CID 170366767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).