4-(7-methoxyheptoxy)butanoyl chloride

C12H23ClO3 — CID 15383030

IUPAC4-(7-methoxyheptoxy)butanoyl chloride
SMILESCOCCCCCCCOCCCC(=O)Cl
InChIInChI=1S/C12H23ClO3/c1-15-9-5-3-2-4-6-10-16-11-7-8-12(13)14/h2-11H2,1H3
InChIKeyHDLOZROAPOUVQH-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.15
Rot. Bonds12

About 4-(7-methoxyheptoxy)butanoyl chloride

4-(7-methoxyheptoxy)butanoyl chloride (PubChem CID 15383030) has the molecular formula C12H23ClO3 and a molecular weight of 250.77 g/mol. Its IUPAC name is 4-(7-methoxyheptoxy)butanoyl chloride.

Molecular Properties

Compound Name4-(7-methoxyheptoxy)butanoyl chloride
PubChem CID15383030
Molecular FormulaC12H23ClO3
Molecular Weight250.77 g/mol
Exact Mass250.13
IUPAC Name4-(7-methoxyheptoxy)butanoyl chloride
SMILESCOCCCCCCCOCCCC(=O)Cl
InChIInChI=1S/C12H23ClO3/c1-15-9-5-3-2-4-6-10-16-11-7-8-12(13)14/h2-11H2,1H3
InChIKeyHDLOZROAPOUVQH-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride
CID 163842692
4-(7-methoxyheptoxy)butanoic acid
CID 15409527
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
4-(3-methoxypropoxy)butanoic acid
CID 60918159
1,8-bis(2-methoxyethoxy)octane
CID 143118909
5-(3-methoxypropoxy)pentanamide
CID 135179275
24-(4-methoxybutoxy)-20-oxotetracosanoic acid
CID 58527676
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615
1,8-dimethoxyoctane-4,5-dione
CID 139993978
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxyheptoxy)butanoyl chloride?
The IUPAC name of 4-(7-methoxyheptoxy)butanoyl chloride (CID 15383030) is 4-(7-methoxyheptoxy)butanoyl chloride.
What is the SMILES notation for 4-(7-methoxyheptoxy)butanoyl chloride?
The canonical SMILES for 4-(7-methoxyheptoxy)butanoyl chloride is COCCCCCCCOCCCC(=O)Cl.
What is the InChIKey of 4-(7-methoxyheptoxy)butanoyl chloride?
The InChIKey is HDLOZROAPOUVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO3/c1-15-9-5-3-2-4-6-10-16-11-7-8-12(13)14/h2-11H2,1H3.
What are the key properties of 4-(7-methoxyheptoxy)butanoyl chloride?
4-(7-methoxyheptoxy)butanoyl chloride has a molecular weight of 250.77 g/mol, XLogP of 3.15, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxyheptoxy)butanoyl chloride is sourced from PubChem (CID 15383030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).