4-chloro-1-methoxy-1-methylcyclohexane

C8H15ClO — CID 174685185

IUPAC4-chloro-1-methoxy-1-methylcyclohexane
SMILESCOC1(C)CCC(Cl)CC1
InChIInChI=1S/C8H15ClO/c1-8(10-2)5-3-7(9)4-6-8/h7H,3-6H2,1-2H3
InChIKeyULXZZGKPIWRAKD-UHFFFAOYSA-N
MW162.66 g/mol
LogP2.57
Rot. Bonds1

About 4-chloro-1-methoxy-1-methylcyclohexane

4-chloro-1-methoxy-1-methylcyclohexane (PubChem CID 174685185) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is 4-chloro-1-methoxy-1-methylcyclohexane.

Molecular Properties

Compound Name4-chloro-1-methoxy-1-methylcyclohexane
PubChem CID174685185
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name4-chloro-1-methoxy-1-methylcyclohexane
SMILESCOC1(C)CCC(Cl)CC1
InChIInChI=1S/C8H15ClO/c1-8(10-2)5-3-7(9)4-6-8/h7H,3-6H2,1-2H3
InChIKeyULXZZGKPIWRAKD-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.57
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

1-methoxy-1-methylcyclononane
CID 123479365
1-methoxy-1-methylcyclodecane
CID 23154687
cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane
CID 164564342
1,4-dimethoxy-4-methylpiperidine
CID 91124438
4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid
CID 118911768
4-chloro-1-methylcyclohexane-1-carboxylic acid
CID 12547623
4-methoxy-1,4-dimethylcyclohexan-1-amine
CID 90857551
1,1-difluoro-4-methoxy-4-methylcyclohexane
CID 122579761
trans-methyl (1R,3S)-3-chloro-1-methylcyclopentane-1-carboxylate
CID 14435921
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350
tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate
CID 91018778
5-methoxy-5-methylazonane
CID 137425996

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methoxy-1-methylcyclohexane?
The IUPAC name of 4-chloro-1-methoxy-1-methylcyclohexane (CID 174685185) is 4-chloro-1-methoxy-1-methylcyclohexane.
What is the SMILES notation for 4-chloro-1-methoxy-1-methylcyclohexane?
The canonical SMILES for 4-chloro-1-methoxy-1-methylcyclohexane is COC1(C)CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-methoxy-1-methylcyclohexane?
The InChIKey is ULXZZGKPIWRAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO/c1-8(10-2)5-3-7(9)4-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 4-chloro-1-methoxy-1-methylcyclohexane?
4-chloro-1-methoxy-1-methylcyclohexane has a molecular weight of 162.66 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-1-methylcyclohexane is sourced from PubChem (CID 174685185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).