1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane

C18H32Cl2O — CID 68745809

IUPAC1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane
SMILESCC1(C(CCl)OC(CCl)C2(C)CCCCC2)CCCCC1
InChIInChI=1S/C18H32Cl2O/c1-17(9-5-3-6-10-17)15(13-19)21-16(14-20)18(2)11-7-4-8-12-18/h15-16H,3-14H2,1-2H3
InChIKeySFEHXICCHCPMOK-UHFFFAOYSA-N
MW335.36 g/mol
LogP6.16
Rot. Bonds6

About 1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane

1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane (PubChem CID 68745809) has the molecular formula C18H32Cl2O and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane.

Molecular Properties

Compound Name1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane
PubChem CID68745809
Molecular FormulaC18H32Cl2O
Molecular Weight335.36 g/mol
Exact Mass334.18
IUPAC Name1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane
SMILESCC1(C(CCl)OC(CCl)C2(C)CCCCC2)CCCCC1
InChIInChI=1S/C18H32Cl2O/c1-17(9-5-3-6-10-17)15(13-19)21-16(14-20)18(2)11-7-4-8-12-18/h15-16H,3-14H2,1-2H3
InChIKeySFEHXICCHCPMOK-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.36
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,11-Dibutoxy-14,14-dichlorodispiro[5.1.58.16]tetradecane
CID 18633568
14,14-Dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane
CID 18633598
14,14-Dichloro-3,11-dihexoxydispiro[5.1.58.16]tetradecane
CID 18633608
14,14-Dichloro-3,11-dioctoxydispiro[5.1.58.16]tetradecane
CID 18633638
14,14-Dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane
CID 18633648
14,14-Dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane
CID 18633659
1,1-Dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane
CID 19974785
1-Chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane
CID 19985302
5-Chloro-4-(5-chloro-3,6-diethyldecan-4-yl)oxy-3,6-diethyldecane
CID 57241527
1-[1-Chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane
CID 68745808
3-Chloro-2-cyclohexyl-5,5-dimethyloxane
CID 69583917
1-[Chloro(propan-2-yloxy)methyl]-1-methylcyclohexane
CID 89304186

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane?
The IUPAC name of 1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane (CID 68745809) is 1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane.
What is the SMILES notation for 1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane?
The canonical SMILES for 1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane is CC1(C(CCl)OC(CCl)C2(C)CCCCC2)CCCCC1.
What is the InChIKey of 1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane?
The InChIKey is SFEHXICCHCPMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32Cl2O/c1-17(9-5-3-6-10-17)15(13-19)21-16(14-20)18(2)11-7-4-8-12-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane?
1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane has a molecular weight of 335.36 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-1-[2-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane is sourced from PubChem (CID 68745809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).