1-(2-methoxyethoxy)heptan-3-one

C10H20O3 — CID 102927335

IUPAC1-(2-methoxyethoxy)heptan-3-one
SMILESCCCCC(=O)CCOCCOC
InChIInChI=1S/C10H20O3/c1-3-4-5-10(11)6-7-13-9-8-12-2/h3-9H2,1-2H3
InChIKeyDHJJZQDEINLARW-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.80
Rot. Bonds9

About 1-(2-methoxyethoxy)heptan-3-one

1-(2-methoxyethoxy)heptan-3-one (PubChem CID 102927335) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)heptan-3-one.

Molecular Properties

Compound Name1-(2-methoxyethoxy)heptan-3-one
PubChem CID102927335
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-(2-methoxyethoxy)heptan-3-one
SMILESCCCCC(=O)CCOCCOC
InChIInChI=1S/C10H20O3/c1-3-4-5-10(11)6-7-13-9-8-12-2/h3-9H2,1-2H3
InChIKeyDHJJZQDEINLARW-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxytridecan-3-one
CID 62620260
1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one
CID 171850546
1-methoxynonan-4-one
CID 65091900
1-(2-methoxyethoxy)oct-7-yn-3-one
CID 102927462
1-(2-methoxyethoxy)oct-7-en-3-one
CID 102927341
1-[2-[2-[methyl-[2-[2-(3-oxooctoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]octan-3-one
CID 163930166
N,N-bis(3,3-dimethylbutyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N,N-bis(3,3-dimethylbutyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;N,N-bis(3,3-dimethylbutyl)-4-oxooctanamide;N,N-bis(3,3-dimethylbutyl)-4-oxo-7-[2-[2-[2-(3-oxoheptoxy)ethoxy]ethoxy]ethoxy]heptanamide;3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N,N-bis(3,3-dimethylbutyl)propanamide;methane
CID 158207520
1-bromo-7-[2-(2-butoxyethoxy)ethoxy]heptan-4-one
CID 106798945
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one
CID 104563962
3-oxoheptyl carbamate
CID 151371373
1-(2,2,2-trifluoroethoxy)nonan-3-one
CID 103146875

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)heptan-3-one?
The IUPAC name of 1-(2-methoxyethoxy)heptan-3-one (CID 102927335) is 1-(2-methoxyethoxy)heptan-3-one.
What is the SMILES notation for 1-(2-methoxyethoxy)heptan-3-one?
The canonical SMILES for 1-(2-methoxyethoxy)heptan-3-one is CCCCC(=O)CCOCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)heptan-3-one?
The InChIKey is DHJJZQDEINLARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-4-5-10(11)6-7-13-9-8-12-2/h3-9H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)heptan-3-one?
1-(2-methoxyethoxy)heptan-3-one has a molecular weight of 188.27 g/mol, XLogP of 1.80, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)heptan-3-one is sourced from PubChem (CID 102927335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).