2-[4-(4-chlorobutoxy)butoxy]acetyl chloride

C10H18Cl2O3 — CID 139466008

IUPAC2-[4-(4-chlorobutoxy)butoxy]acetyl chloride
SMILESO=C(Cl)COCCCCOCCCCCl
InChIInChI=1S/C10H18Cl2O3/c11-5-1-2-6-14-7-3-4-8-15-9-10(12)13/h1-9H2
InChIKeyWDFMKKCLONFLCM-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.58
Rot. Bonds11

About 2-[4-(4-chlorobutoxy)butoxy]acetyl chloride

2-[4-(4-chlorobutoxy)butoxy]acetyl chloride (PubChem CID 139466008) has the molecular formula C10H18Cl2O3 and a molecular weight of 257.16 g/mol. Its IUPAC name is 2-[4-(4-chlorobutoxy)butoxy]acetyl chloride.

Molecular Properties

Compound Name2-[4-(4-chlorobutoxy)butoxy]acetyl chloride
PubChem CID139466008
Molecular FormulaC10H18Cl2O3
Molecular Weight257.16 g/mol
Exact Mass256.06
IUPAC Name2-[4-(4-chlorobutoxy)butoxy]acetyl chloride
SMILESO=C(Cl)COCCCCOCCCCCl
InChIInChI=1S/C10H18Cl2O3/c11-5-1-2-6-14-7-3-4-8-15-9-10(12)13/h1-9H2
InChIKeyWDFMKKCLONFLCM-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 52.58
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'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 134694956
2-(3-chloropropoxy)acetic acid
CID 19745372
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate
CID 164593219
4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride
CID 163842692
2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride
CID 71371862
3-(3-chloropropoxy)propanoic acid
CID 139466020
3-(3-bromopropoxy)propanoyl chloride
CID 86619721
1-(5-chloropentoxy)octane
CID 43348463
4-chloro-1-[2-(11-sulfanylundecoxy)ethoxy]butan-2-one
CID 59422686
tert-butyl 5-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]pentanoate
CID 129086852

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobutoxy)butoxy]acetyl chloride?
The IUPAC name of 2-[4-(4-chlorobutoxy)butoxy]acetyl chloride (CID 139466008) is 2-[4-(4-chlorobutoxy)butoxy]acetyl chloride.
What is the SMILES notation for 2-[4-(4-chlorobutoxy)butoxy]acetyl chloride?
The canonical SMILES for 2-[4-(4-chlorobutoxy)butoxy]acetyl chloride is O=C(Cl)COCCCCOCCCCCl.
What is the InChIKey of 2-[4-(4-chlorobutoxy)butoxy]acetyl chloride?
The InChIKey is WDFMKKCLONFLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl2O3/c11-5-1-2-6-14-7-3-4-8-15-9-10(12)13/h1-9H2.
What are the key properties of 2-[4-(4-chlorobutoxy)butoxy]acetyl chloride?
2-[4-(4-chlorobutoxy)butoxy]acetyl chloride has a molecular weight of 257.16 g/mol, XLogP of 2.58, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobutoxy)butoxy]acetyl chloride is sourced from PubChem (CID 139466008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).