[8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane

C19H37ClO2 — CID 176887333

IUPAC[8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane
SMILESCCOCC(COC)(C(C)CCCCCCl)C1CCCCC1
InChIInChI=1S/C19H37ClO2/c1-4-22-16-19(15-21-3,18-12-8-5-9-13-18)17(2)11-7-6-10-14-20/h17-18H,4-16H2,1-3H3
InChIKeyJZBPZUJDUPFPHM-UHFFFAOYSA-N
MW332.96 g/mol
LogP5.67
Rot. Bonds12

About [8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane

[8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane (PubChem CID 176887333) has the molecular formula C19H37ClO2 and a molecular weight of 332.96 g/mol. Its IUPAC name is [8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane.

Molecular Properties

Compound Name[8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane
PubChem CID176887333
Molecular FormulaC19H37ClO2
Molecular Weight332.96 g/mol
Exact Mass332.25
IUPAC Name[8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane
SMILESCCOCC(COC)(C(C)CCCCCCl)C1CCCCC1
InChIInChI=1S/C19H37ClO2/c1-4-22-16-19(15-21-3,18-12-8-5-9-13-18)17(2)11-7-6-10-14-20/h17-18H,4-16H2,1-3H3
InChIKeyJZBPZUJDUPFPHM-UHFFFAOYSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.96
LogP ≤ 55.67
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'}

Analyze [8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane 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

[5-Chloro-5,5-difluoro-1-propoxy-2-(propoxymethyl)pentan-2-yl]cyclohexane
CID 176013600
1-[5-Chloro-5,5-difluoro-1-propoxy-2-(propoxymethyl)pentan-2-yl]-4-methylcyclohexane
CID 176013646
[5,5-Dichloro-1-ethoxy-2-(ethoxymethyl)-5-fluoropentan-2-yl]cyclohexane
CID 176205938
[5,5-Dichloro-5-fluoro-1-methoxy-2-(2-methylpropoxymethyl)pentan-2-yl]cyclohexane
CID 176205955
1-Chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane
CID 19985302
1-Chloro-4-methoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)octane
CID 19985359
1-Chloro-4-[1-ethoxy-2-(ethoxymethyl)-4-methylpentan-2-yl]cyclohexane
CID 19985377
5-Chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane
CID 19985378
1-Chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane
CID 19985380
1-Chloro-4-[2-(4-chlorocyclohexyl)-1,3-dimethoxypropan-2-yl]cyclohexane
CID 19985403
1-[1-Butoxy-2-(butoxymethyl)-4-methylpentan-2-yl]-4-chlorocyclohexane
CID 19985411
[1-Ethoxy-2-(ethoxymethyl)pentan-2-yl]cyclohexane
CID 21947085

Frequently Asked Questions

What is the IUPAC name of [8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane?
The IUPAC name of [8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane (CID 176887333) is [8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane.
What is the SMILES notation for [8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane?
The canonical SMILES for [8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane is CCOCC(COC)(C(C)CCCCCCl)C1CCCCC1.
What is the InChIKey of [8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane?
The InChIKey is JZBPZUJDUPFPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37ClO2/c1-4-22-16-19(15-21-3,18-12-8-5-9-13-18)17(2)11-7-6-10-14-20/h17-18H,4-16H2,1-3H3.
What are the key properties of [8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane?
[8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane has a molecular weight of 332.96 g/mol, XLogP of 5.67, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane is sourced from PubChem (CID 176887333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).