1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane

C11H23ClO4 — CID 104561148

IUPAC1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane
SMILESCOCCOCCOCCOCC(C)CCl
InChIInChI=1S/C11H23ClO4/c1-11(9-12)10-16-8-7-15-6-5-14-4-3-13-2/h11H,3-10H2,1-2H3
InChIKeyGABKMBHXKIHAQS-UHFFFAOYSA-N
MW254.75 g/mol
LogP1.56
Rot. Bonds12

About 1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane

1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane (PubChem CID 104561148) has the molecular formula C11H23ClO4 and a molecular weight of 254.75 g/mol. Its IUPAC name is 1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane.

Molecular Properties

Compound Name1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane
PubChem CID104561148
Molecular FormulaC11H23ClO4
Molecular Weight254.75 g/mol
Exact Mass254.13
IUPAC Name1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane
SMILESCOCCOCCOCCOCC(C)CCl
InChIInChI=1S/C11H23ClO4/c1-11(9-12)10-16-8-7-15-6-5-14-4-3-13-2/h11H,3-10H2,1-2H3
InChIKeyGABKMBHXKIHAQS-UHFFFAOYSA-N
XLogP1.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane 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

1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
CID 129036094
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
CID 104567582
1,1-dimethoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 14433926
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine
CID 103413068
1-chloro-2-methyl-3-(2-methylsulfanylethoxy)propane
CID 127003755
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-(3-chloro-2-methylpropoxy)octane
CID 22002962
methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane
CID 161045370

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane?
The IUPAC name of 1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane (CID 104561148) is 1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane.
What is the SMILES notation for 1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane?
The canonical SMILES for 1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane is COCCOCCOCCOCC(C)CCl.
What is the InChIKey of 1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane?
The InChIKey is GABKMBHXKIHAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO4/c1-11(9-12)10-16-8-7-15-6-5-14-4-3-13-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane?
1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane has a molecular weight of 254.75 g/mol, XLogP of 1.56, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane is sourced from PubChem (CID 104561148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).