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

C11H22O3 — CID 14241772

IUPAC2-(1-ethoxyethoxy)heptan-3-one
SMILESCCCCC(=O)C(C)OC(C)OCC
InChIInChI=1S/C11H22O3/c1-5-7-8-11(12)9(3)14-10(4)13-6-2/h9-10H,5-8H2,1-4H3
InChIKeyWHUIFFXXHANYEF-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.53
Rot. Bonds8

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

2-(1-ethoxyethoxy)heptan-3-one (PubChem CID 14241772) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-(1-ethoxyethoxy)heptan-3-one.

Molecular Properties

Compound Name2-(1-ethoxyethoxy)heptan-3-one
PubChem CID14241772
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-(1-ethoxyethoxy)heptan-3-one
SMILESCCCCC(=O)C(C)OC(C)OCC
InChIInChI=1S/C11H22O3/c1-5-7-8-11(12)9(3)14-10(4)13-6-2/h9-10H,5-8H2,1-4H3
InChIKeyWHUIFFXXHANYEF-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-Dimethoxyhexan-2-one
CID 242022
1,1-Dimethoxyheptan-2-one
CID 242023
(4S)-4-butyl-2,2-dimethyl-1,3-dioxan-5-one
CID 12027932
1,1-Diethoxyhexan-2-one
CID 14002870
(2S)-2-(1-ethoxyethoxy)heptan-3-one
CID 14241773
3-(Ethoxymethoxy)octan-2-one
CID 88003595
2,2-Dimethoxyheptan-3-one
CID 134891047
3-(Methoxymethoxy)nonan-2-one
CID 10442846
1,1,6,6-Tetramethoxy-2-hexanone
CID 15895012
Oxopropanediol dicaproate
CID 129727820
2-[(Tetrahydro-2H-pyran-2-yl)oxy]octan-3-one
CID 134861568
(3R)-3-(methoxymethoxy)decan-2-one
CID 134881173

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethoxy)heptan-3-one?
The IUPAC name of 2-(1-ethoxyethoxy)heptan-3-one (CID 14241772) is 2-(1-ethoxyethoxy)heptan-3-one.
What is the SMILES notation for 2-(1-ethoxyethoxy)heptan-3-one?
The canonical SMILES for 2-(1-ethoxyethoxy)heptan-3-one is CCCCC(=O)C(C)OC(C)OCC.
What is the InChIKey of 2-(1-ethoxyethoxy)heptan-3-one?
The InChIKey is WHUIFFXXHANYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-7-8-11(12)9(3)14-10(4)13-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-(1-ethoxyethoxy)heptan-3-one?
2-(1-ethoxyethoxy)heptan-3-one has a molecular weight of 202.29 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethoxy)heptan-3-one is sourced from PubChem (CID 14241772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).