1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane

C10H19ClO3 — CID 103408042

IUPAC1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane
SMILESCOCCOCCCOC1CC(Cl)C1
InChIInChI=1S/C10H19ClO3/c1-12-5-6-13-3-2-4-14-10-7-9(11)8-10/h9-10H,2-8H2,1H3
InChIKeyICTNIGXMKYBFKA-UHFFFAOYSA-N
MW222.71 g/mol
LogP1.83
Rot. Bonds8

About 1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane

1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane (PubChem CID 103408042) has the molecular formula C10H19ClO3 and a molecular weight of 222.71 g/mol. Its IUPAC name is 1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane.

Molecular Properties

Compound Name1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane
PubChem CID103408042
Molecular FormulaC10H19ClO3
Molecular Weight222.71 g/mol
Exact Mass222.10
IUPAC Name1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane
SMILESCOCCOCCCOC1CC(Cl)C1
InChIInChI=1S/C10H19ClO3/c1-12-5-6-13-3-2-4-14-10-7-9(11)8-10/h9-10H,2-8H2,1H3
InChIKeyICTNIGXMKYBFKA-UHFFFAOYSA-N
XLogP1.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.71
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol
CID 103404372
2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane
CID 103408040
1,8-bis(2-methoxyethoxy)octane
CID 143118909
1-chloro-3-propoxycyclobutane
CID 66344084
8-[3-(2-methoxyethoxy)propoxy]-1,4-dioxaspiro[4.5]decane
CID 103409869
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane
CID 104567144
3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-amine
CID 79466003
3-methoxypropoxycyclooctane
CID 68608033
2,2-diethyl-3-[3-(2-methoxyethoxy)propoxy]cyclobutan-1-amine
CID 103408108
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]piperidine;hydrochloride
CID 118540846

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane?
The IUPAC name of 1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane (CID 103408042) is 1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane.
What is the SMILES notation for 1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane?
The canonical SMILES for 1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane is COCCOCCCOC1CC(Cl)C1.
What is the InChIKey of 1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane?
The InChIKey is ICTNIGXMKYBFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO3/c1-12-5-6-13-3-2-4-14-10-7-9(11)8-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane?
1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane has a molecular weight of 222.71 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane is sourced from PubChem (CID 103408042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).