5-(4-methylpentoxy)pentan-2-one

C11H22O2 — CID 43793745

IUPAC5-(4-methylpentoxy)pentan-2-one
SMILESCC(=O)CCCOCCCC(C)C
InChIInChI=1S/C11H22O2/c1-10(2)6-4-8-13-9-5-7-11(3)12/h10H,4-9H2,1-3H3
InChIKeyOGIYSVSEVGEGQD-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds8

About 5-(4-methylpentoxy)pentan-2-one

5-(4-methylpentoxy)pentan-2-one (PubChem CID 43793745) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-(4-methylpentoxy)pentan-2-one.

Molecular Properties

Compound Name5-(4-methylpentoxy)pentan-2-one
PubChem CID43793745
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-(4-methylpentoxy)pentan-2-one
SMILESCC(=O)CCCOCCCC(C)C
InChIInChI=1S/C11H22O2/c1-10(2)6-4-8-13-9-5-7-11(3)12/h10H,4-9H2,1-3H3
InChIKeyOGIYSVSEVGEGQD-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

18-methylnonadecan-2-one
CID 90921447
8-methylnonan-2-one
CID 528744
4-(4-methylpentoxy)butanehydrazide
CID 63575354
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
1-(10-methylundecoxy)propan-2-one
CID 171604608
7-(2-methylpropoxy)heptan-2-one
CID 170366767
N-(4-methylpentoxymethyl)acetamide
CID 139317241
14-methyl-1-(3-methylbutoxy)pentadecane-4,8-dione
CID 163560833
2-methyl-6-[2-(7-methyloctoxy)ethoxy]hexan-3-one
CID 164970854
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentoxy)pentan-2-one?
The IUPAC name of 5-(4-methylpentoxy)pentan-2-one (CID 43793745) is 5-(4-methylpentoxy)pentan-2-one.
What is the SMILES notation for 5-(4-methylpentoxy)pentan-2-one?
The canonical SMILES for 5-(4-methylpentoxy)pentan-2-one is CC(=O)CCCOCCCC(C)C.
What is the InChIKey of 5-(4-methylpentoxy)pentan-2-one?
The InChIKey is OGIYSVSEVGEGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(2)6-4-8-13-9-5-7-11(3)12/h10H,4-9H2,1-3H3.
What are the key properties of 5-(4-methylpentoxy)pentan-2-one?
5-(4-methylpentoxy)pentan-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 5-(4-methylpentoxy)pentan-2-one is sourced from PubChem (CID 43793745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).