1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane

C19H34Cl2O2 — CID 19985302

IUPAC1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane
SMILESCOCC(COC)(CC1CCC(Cl)CC1)CC1CCC(Cl)CC1
InChIInChI=1S/C19H34Cl2O2/c1-22-13-19(14-23-2,11-15-3-7-17(20)8-4-15)12-16-5-9-18(21)10-6-16/h15-18H,3-14H2,1-2H3
InChIKeyBIXWYHDPXPNGJG-UHFFFAOYSA-N
MW365.39 g/mol
LogP5.64
Rot. Bonds8

About 1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane

1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane (PubChem CID 19985302) has the molecular formula C19H34Cl2O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane.

Molecular Properties

Compound Name1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane
PubChem CID19985302
Molecular FormulaC19H34Cl2O2
Molecular Weight365.39 g/mol
Exact Mass364.19
IUPAC Name1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane
SMILESCOCC(COC)(CC1CCC(Cl)CC1)CC1CCC(Cl)CC1
InChIInChI=1S/C19H34Cl2O2/c1-22-13-19(14-23-2,11-15-3-7-17(20)8-4-15)12-16-5-9-18(21)10-6-16/h15-18H,3-14H2,1-2H3
InChIKeyBIXWYHDPXPNGJG-UHFFFAOYSA-N
XLogP5.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]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

1-Chloro-4-[1-ethoxy-2-(ethoxymethyl)-4-methylpentan-2-yl]cyclohexane
CID 19985377
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-[2-Chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane
CID 68745809
[5,5-Dichloro-1-propoxy-2-(propoxymethyl)pentan-2-yl]cyclohexane
CID 174162089
[5,5-Dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
CID 174162334
[5,5-Dichloro-1-methoxy-2-(methoxymethyl)-7-methyloctan-2-yl]cyclohexane
CID 176013604
[8-Chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane
CID 176887330
[8-Chloro-1-ethoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane
CID 176887333
4-Butyl-1-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclohexane
CID 103184973
4-Tert-butyl-1-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclohexane
CID 103184981

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane?
The IUPAC name of 1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane (CID 19985302) is 1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane.
What is the SMILES notation for 1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane?
The canonical SMILES for 1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane is COCC(COC)(CC1CCC(Cl)CC1)CC1CCC(Cl)CC1.
What is the InChIKey of 1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane?
The InChIKey is BIXWYHDPXPNGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34Cl2O2/c1-22-13-19(14-23-2,11-15-3-7-17(20)8-4-15)12-16-5-9-18(21)10-6-16/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane?
1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane has a molecular weight of 365.39 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane is sourced from PubChem (CID 19985302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).