2-(1-methoxyethyl)-3-oxoheptanoyl chloride

C10H17ClO3 — CID 88748252

IUPAC2-(1-methoxyethyl)-3-oxoheptanoyl chloride
SMILESCCCCC(=O)C(C(=O)Cl)C(C)OC
InChIInChI=1S/C10H17ClO3/c1-4-5-6-8(12)9(10(11)13)7(2)14-3/h7,9H,4-6H2,1-3H3
InChIKeyDLBCOUYJYIEDHZ-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.16
Rot. Bonds7

About 2-(1-methoxyethyl)-3-oxoheptanoyl chloride

2-(1-methoxyethyl)-3-oxoheptanoyl chloride (PubChem CID 88748252) has the molecular formula C10H17ClO3 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-3-oxoheptanoyl chloride.

Molecular Properties

Compound Name2-(1-methoxyethyl)-3-oxoheptanoyl chloride
PubChem CID88748252
Molecular FormulaC10H17ClO3
Molecular Weight220.70 g/mol
Exact Mass220.09
IUPAC Name2-(1-methoxyethyl)-3-oxoheptanoyl chloride
SMILESCCCCC(=O)C(C(=O)Cl)C(C)OC
InChIInChI=1S/C10H17ClO3/c1-4-5-6-8(12)9(10(11)13)7(2)14-3/h7,9H,4-6H2,1-3H3
InChIKeyDLBCOUYJYIEDHZ-UHFFFAOYSA-N
XLogP2.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(1-methoxyethyl)-3-oxoheptanoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylheptan-3-one;hydrate
CID 176897102
1,1-dimethoxyoctadecan-2-one
CID 54059971
2-dimethoxyphosphorylheptan-3-one
CID 57262784
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
1-chloro-1-fluorohexan-2-one
CID 45119049
methyl 4-oxo-2,3-di(propan-2-yl)octanoate
CID 142729967
2-nonan-2-ylpropanedioyl dichloride
CID 22468236
1,1-diiodohexan-2-one
CID 12616826
(2R,3S)-3-butoxy-2-methylbutanoyl chloride
CID 57059107
2-chloro-3-oxoheptanoic acid
CID 23089387
2-chloroheptadecan-3-one
CID 88651520
2-methyl-3-oxoheptanal
CID 89327816

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-3-oxoheptanoyl chloride?
The IUPAC name of 2-(1-methoxyethyl)-3-oxoheptanoyl chloride (CID 88748252) is 2-(1-methoxyethyl)-3-oxoheptanoyl chloride.
What is the SMILES notation for 2-(1-methoxyethyl)-3-oxoheptanoyl chloride?
The canonical SMILES for 2-(1-methoxyethyl)-3-oxoheptanoyl chloride is CCCCC(=O)C(C(=O)Cl)C(C)OC.
What is the InChIKey of 2-(1-methoxyethyl)-3-oxoheptanoyl chloride?
The InChIKey is DLBCOUYJYIEDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO3/c1-4-5-6-8(12)9(10(11)13)7(2)14-3/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-(1-methoxyethyl)-3-oxoheptanoyl chloride?
2-(1-methoxyethyl)-3-oxoheptanoyl chloride has a molecular weight of 220.70 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-3-oxoheptanoyl chloride is sourced from PubChem (CID 88748252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).