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

C18H32Cl2O — CID 68745808

IUPAC1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane
SMILESCC1(C(C)(Cl)OC(C)(Cl)C2(C)CCCCC2)CCCCC1
InChIInChI=1S/C18H32Cl2O/c1-15(11-7-5-8-12-15)17(3,19)21-18(4,20)16(2)13-9-6-10-14-16/h5-14H2,1-4H3
InChIKeyFHGVNNQZKQFDGG-UHFFFAOYSA-N
MW335.36 g/mol
LogP6.85
Rot. Bonds4

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

1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane (PubChem CID 68745808) has the molecular formula C18H32Cl2O and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane.

Molecular Properties

Compound Name1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane
PubChem CID68745808
Molecular FormulaC18H32Cl2O
Molecular Weight335.36 g/mol
Exact Mass334.18
IUPAC Name1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane
SMILESCC1(C(C)(Cl)OC(C)(Cl)C2(C)CCCCC2)CCCCC1
InChIInChI=1S/C18H32Cl2O/c1-15(11-7-5-8-12-15)17(3,19)21-18(4,20)16(2)13-9-6-10-14-16/h5-14H2,1-4H3
InChIKeyFHGVNNQZKQFDGG-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.36
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane?
The IUPAC name of 1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane (CID 68745808) is 1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane.
What is the SMILES notation for 1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane?
The canonical SMILES for 1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane is CC1(C(C)(Cl)OC(C)(Cl)C2(C)CCCCC2)CCCCC1.
What is the InChIKey of 1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane?
The InChIKey is FHGVNNQZKQFDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32Cl2O/c1-15(11-7-5-8-12-15)17(3,19)21-18(4,20)16(2)13-9-6-10-14-16/h5-14H2,1-4H3.
What are the key properties of 1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane?
1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane has a molecular weight of 335.36 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-1-[1-chloro-1-(1-methylcyclohexyl)ethoxy]ethyl]-1-methylcyclohexane is sourced from PubChem (CID 68745808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).