2-(3-methoxypropoxy)ethyl carbonochloridate

C7H13ClO4 — CID 103176615

IUPAC2-(3-methoxypropoxy)ethyl carbonochloridate
SMILESCOCCCOCCOC(=O)Cl
InChIInChI=1S/C7H13ClO4/c1-10-3-2-4-11-5-6-12-7(8)9/h2-6H2,1H3
InChIKeyANJDPUOJXYEDHJ-UHFFFAOYSA-N
MW196.63 g/mol
LogP1.41
Rot. Bonds7

About 2-(3-methoxypropoxy)ethyl carbonochloridate

2-(3-methoxypropoxy)ethyl carbonochloridate (PubChem CID 103176615) has the molecular formula C7H13ClO4 and a molecular weight of 196.63 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl carbonochloridate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl carbonochloridate
PubChem CID103176615
Molecular FormulaC7H13ClO4
Molecular Weight196.63 g/mol
Exact Mass196.05
IUPAC Name2-(3-methoxypropoxy)ethyl carbonochloridate
SMILESCOCCCOCCOC(=O)Cl
InChIInChI=1S/C7H13ClO4/c1-10-3-2-4-11-5-6-12-7(8)9/h2-6H2,1H3
InChIKeyANJDPUOJXYEDHJ-UHFFFAOYSA-N
XLogP1.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
3-butoxypropyl carbonochloridate
CID 139806426
2-(3-methoxypropoxy)ethyl 2-sulfanylpropanoate
CID 107019121
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate
CID 87769608
2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate
CID 103181345
5-(3-methoxypropoxy)pentanamide
CID 135179275
2-[2-(3-methoxypropoxy)ethoxy]acetic acid
CID 54027919
2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
CID 103178278
2-(3-methoxypropoxy)ethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 103178228
2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate
CID 103178488
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl carbonochloridate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl carbonochloridate (CID 103176615) is 2-(3-methoxypropoxy)ethyl carbonochloridate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl carbonochloridate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl carbonochloridate is COCCCOCCOC(=O)Cl.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl carbonochloridate?
The InChIKey is ANJDPUOJXYEDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO4/c1-10-3-2-4-11-5-6-12-7(8)9/h2-6H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl carbonochloridate?
2-(3-methoxypropoxy)ethyl carbonochloridate has a molecular weight of 196.63 g/mol, XLogP of 1.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl carbonochloridate is sourced from PubChem (CID 103176615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).