4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane

C12H25ClO2 — CID 103415451

IUPAC4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane
SMILESCOCCOCCCC(CCl)C(C)(C)C
InChIInChI=1S/C12H25ClO2/c1-12(2,3)11(10-13)6-5-7-15-9-8-14-4/h11H,5-10H2,1-4H3
InChIKeyGFGRVOVFZPYKIO-UHFFFAOYSA-N
MW236.78 g/mol
LogP3.33
Rot. Bonds8

About 4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane

4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane (PubChem CID 103415451) has the molecular formula C12H25ClO2 and a molecular weight of 236.78 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane
PubChem CID103415451
Molecular FormulaC12H25ClO2
Molecular Weight236.78 g/mol
Exact Mass236.15
IUPAC Name4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane
SMILESCOCCOCCCC(CCl)C(C)(C)C
InChIInChI=1S/C12H25ClO2/c1-12(2,3)11(10-13)6-5-7-15-9-8-14-4/h11H,5-10H2,1-4H3
InChIKeyGFGRVOVFZPYKIO-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.78
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine
CID 106354187
1-(2-methoxyethoxy)-3,4,4-trimethylpentane
CID 157211030
1,8-bis(2-methoxyethoxy)octane
CID 143118909
2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
5-(2-methoxyethoxy)-2-propan-2-ylpentan-1-amine
CID 103412271
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-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
CID 103416672

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane?
The IUPAC name of 4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane (CID 103415451) is 4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane.
What is the SMILES notation for 4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane?
The canonical SMILES for 4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane is COCCOCCCC(CCl)C(C)(C)C.
What is the InChIKey of 4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane?
The InChIKey is GFGRVOVFZPYKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClO2/c1-12(2,3)11(10-13)6-5-7-15-9-8-14-4/h11H,5-10H2,1-4H3.
What are the key properties of 4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane?
4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane has a molecular weight of 236.78 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane is sourced from PubChem (CID 103415451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).