6-[(2-methylcyclopropyl)methoxy]hexan-2-one

C11H20O2 — CID 135222353

IUPAC6-[(2-methylcyclopropyl)methoxy]hexan-2-one
SMILESCC(=O)CCCCOCC1CC1C
InChIInChI=1S/C11H20O2/c1-9-7-11(9)8-13-6-4-3-5-10(2)12/h9,11H,3-8H2,1-2H3
InChIKeyDOMIVHHAXDPFGW-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds7

About 6-[(2-methylcyclopropyl)methoxy]hexan-2-one

6-[(2-methylcyclopropyl)methoxy]hexan-2-one (PubChem CID 135222353) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-[(2-methylcyclopropyl)methoxy]hexan-2-one.

Molecular Properties

Compound Name6-[(2-methylcyclopropyl)methoxy]hexan-2-one
PubChem CID135222353
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name6-[(2-methylcyclopropyl)methoxy]hexan-2-one
SMILESCC(=O)CCCCOCC1CC1C
InChIInChI=1S/C11H20O2/c1-9-7-11(9)8-13-6-4-3-5-10(2)12/h9,11H,3-8H2,1-2H3
InChIKeyDOMIVHHAXDPFGW-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.42
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

6-(oxan-4-ylmethoxy)hexan-2-one
CID 62382275
9-(hydroxymethoxy)nonan-2-one
CID 171562629
4-[(1R,2S)-2-methylcyclopropyl]butan-2-one
CID 45085231
6-[2-(2-propoxyethoxy)ethoxy]hexan-2-one
CID 58427327
7-hexoxyheptan-2-one
CID 122428493
11-butoxyundecan-2-one
CID 175547866
sodium 5-oxohexyl sulfate
CID 175694794
7-(6-aminohexoxy)heptan-2-one
CID 146201806
6-cycloheptyloxyhexan-2-one
CID 61069930
6-[(2-methylpropan-2-yl)oxy]hexan-2-one
CID 43793724
7-(2-methylpropoxy)heptan-2-one
CID 170366767
6-(2,2,2-trifluoroethoxy)hexan-2-one
CID 43793499

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclopropyl)methoxy]hexan-2-one?
The IUPAC name of 6-[(2-methylcyclopropyl)methoxy]hexan-2-one (CID 135222353) is 6-[(2-methylcyclopropyl)methoxy]hexan-2-one.
What is the SMILES notation for 6-[(2-methylcyclopropyl)methoxy]hexan-2-one?
The canonical SMILES for 6-[(2-methylcyclopropyl)methoxy]hexan-2-one is CC(=O)CCCCOCC1CC1C.
What is the InChIKey of 6-[(2-methylcyclopropyl)methoxy]hexan-2-one?
The InChIKey is DOMIVHHAXDPFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-7-11(9)8-13-6-4-3-5-10(2)12/h9,11H,3-8H2,1-2H3.
What are the key properties of 6-[(2-methylcyclopropyl)methoxy]hexan-2-one?
6-[(2-methylcyclopropyl)methoxy]hexan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclopropyl)methoxy]hexan-2-one is sourced from PubChem (CID 135222353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).