2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane

C14H23ClO4 — CID 22182841

IUPAC2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane
SMILESClC1CC(OCCC2CO2)CCC1OCCC1CO1
InChIInChI=1S/C14H23ClO4/c15-13-7-10(16-5-3-11-8-18-11)1-2-14(13)17-6-4-12-9-19-12/h10-14H,1-9H2
InChIKeyDDNLLYYWFSTMHR-UHFFFAOYSA-N
MW290.79 g/mol
LogP2.13
Rot. Bonds8

About 2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane

2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane (PubChem CID 22182841) has the molecular formula C14H23ClO4 and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane.

Molecular Properties

Compound Name2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane
PubChem CID22182841
Molecular FormulaC14H23ClO4
Molecular Weight290.79 g/mol
Exact Mass290.13
IUPAC Name2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane
SMILESClC1CC(OCCC2CO2)CCC1OCCC1CO1
InChIInChI=1S/C14H23ClO4/c15-13-7-10(16-5-3-11-8-18-11)1-2-14(13)17-6-4-12-9-19-12/h10-14H,1-9H2
InChIKeyDDNLLYYWFSTMHR-UHFFFAOYSA-N
XLogP2.13
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid
CID 165102212
2-[2-[4-[2-(oxiran-2-yl)ethoxy]butoxy]ethyl]oxirane
CID 177262160
2-(2-ethenoxyethyl)oxirane
CID 54536432
(3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine
CID 158173740
2-[2-(cyclopropylmethoxy)ethyl]oxirane
CID 126983130
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
CID 141065543
2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane
CID 177262218
2-[2-(oxiran-2-yl)ethoxy]ethanol
CID 20723947
2-(4-dodecoxybutyl)oxirane
CID 22900888
4-[6-(oxiran-2-yl)hexoxy]butan-1-amine
CID 165009264
2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane?
The IUPAC name of 2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane (CID 22182841) is 2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane.
What is the SMILES notation for 2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane?
The canonical SMILES for 2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane is ClC1CC(OCCC2CO2)CCC1OCCC1CO1.
What is the InChIKey of 2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane?
The InChIKey is DDNLLYYWFSTMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO4/c15-13-7-10(16-5-3-11-8-18-11)1-2-14(13)17-6-4-12-9-19-12/h10-14H,1-9H2.
What are the key properties of 2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane?
2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane has a molecular weight of 290.79 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-chloro-4-[2-(oxiran-2-yl)ethoxy]cyclohexyl]oxyethyl]oxirane is sourced from PubChem (CID 22182841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).