1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone

C14H25ClO4 — CID 140903986

IUPAC1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(CCOCOCCOCCl)CC1
InChIInChI=1S/C14H25ClO4/c1-12(16)14-4-2-13(3-5-14)6-7-18-11-19-9-8-17-10-15/h13-14H,2-11H2,1H3
InChIKeyJXSXJCDIPMRASF-UHFFFAOYSA-N
MW292.80 g/mol
LogP2.98
Rot. Bonds10

About 1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone

1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone (PubChem CID 140903986) has the molecular formula C14H25ClO4 and a molecular weight of 292.80 g/mol. Its IUPAC name is 1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone
PubChem CID140903986
Molecular FormulaC14H25ClO4
Molecular Weight292.80 g/mol
Exact Mass292.14
IUPAC Name1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(CCOCOCCOCCl)CC1
InChIInChI=1S/C14H25ClO4/c1-12(16)14-4-2-13(3-5-14)6-7-18-11-19-9-8-17-10-15/h13-14H,2-11H2,1H3
InChIKeyJXSXJCDIPMRASF-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 52.98
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopropylethoxymethoxy)acetamide
CID 139698725
4-(4-acetylcyclohexyl)butan-2-one
CID 58356027
1-(4-pentylcyclohexyl)ethanone
CID 13278013
ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane
CID 144882385
methyl 3-(2-cyclopropylethoxy)propanoate
CID 106199265
4-acetylcyclohexane-1-carbonyl chloride
CID 118944130
1-(4-bromocyclohexyl)ethanone
CID 118688836
carbonochloridoyl 2-cyclopropylethyl carbonate
CID 175539092
propan-2-yl 2-(2-cyclopropylethoxy)acetate
CID 106199281
1-(4-aminocyclohexyl)ethanone;hydrochloride
CID 66728623
(2Z)-2-[2-(2-cyclohexylethoxy)ethylhydrazinylidene]propanoic acid
CID 88728656
N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide
CID 143959726

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone?
The IUPAC name of 1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone (CID 140903986) is 1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone?
The canonical SMILES for 1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone is CC(=O)C1CCC(CCOCOCCOCCl)CC1.
What is the InChIKey of 1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone?
The InChIKey is JXSXJCDIPMRASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO4/c1-12(16)14-4-2-13(3-5-14)6-7-18-11-19-9-8-17-10-15/h13-14H,2-11H2,1H3.
What are the key properties of 1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone?
1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone has a molecular weight of 292.80 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(chloromethoxy)ethoxymethoxy]ethyl]cyclohexyl]ethanone is sourced from PubChem (CID 140903986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).