1,1-dichloro-4-methoxycyclohexane

C7H12Cl2O — CID 123609119

IUPAC1,1-dichloro-4-methoxycyclohexane
SMILESCOC1CCC(Cl)(Cl)CC1
InChIInChI=1S/C7H12Cl2O/c1-10-6-2-4-7(8,9)5-3-6/h6H,2-5H2,1H3
InChIKeyMMXNQZXLPRGJHT-UHFFFAOYSA-N
MW183.08 g/mol
LogP2.75
Rot. Bonds1

About 1,1-dichloro-4-methoxycyclohexane

1,1-dichloro-4-methoxycyclohexane (PubChem CID 123609119) has the molecular formula C7H12Cl2O and a molecular weight of 183.08 g/mol. Its IUPAC name is 1,1-dichloro-4-methoxycyclohexane.

Molecular Properties

Compound Name1,1-dichloro-4-methoxycyclohexane
PubChem CID123609119
Molecular FormulaC7H12Cl2O
Molecular Weight183.08 g/mol
Exact Mass182.03
IUPAC Name1,1-dichloro-4-methoxycyclohexane
SMILESCOC1CCC(Cl)(Cl)CC1
InChIInChI=1S/C7H12Cl2O/c1-10-6-2-4-7(8,9)5-3-6/h6H,2-5H2,1H3
InChIKeyMMXNQZXLPRGJHT-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 52.75
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

4-methoxy-1-methylcyclohexan-1-amine
CID 59419772
(4-methoxy-1-methylcyclohexyl)azanium
CID 143542596
1-amino-4-methoxycyclohexan-1-ol
CID 170572997
4-methoxycyclohexane-1,1-dicarboxylate
CID 140732737
1-ethenyl-4-methoxycyclohexan-1-ol
CID 12643103
1,1-difluoro-4-methoxycyclooctane
CID 129088845
methoxycyclooctane
CID 551195
methoxycyclopentane;dihydrate
CID 159895201
azane;methoxycyclopentane
CID 70270429
3-methoxyspiro[4.4]nonane
CID 129102731
ethane;1-methoxy-4-propan-2-ylcyclohexane
CID 178120184
4-tert-butyl-1,1-dichlorocyclohexane
CID 10867528

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-4-methoxycyclohexane?
The IUPAC name of 1,1-dichloro-4-methoxycyclohexane (CID 123609119) is 1,1-dichloro-4-methoxycyclohexane.
What is the SMILES notation for 1,1-dichloro-4-methoxycyclohexane?
The canonical SMILES for 1,1-dichloro-4-methoxycyclohexane is COC1CCC(Cl)(Cl)CC1.
What is the InChIKey of 1,1-dichloro-4-methoxycyclohexane?
The InChIKey is MMXNQZXLPRGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2O/c1-10-6-2-4-7(8,9)5-3-6/h6H,2-5H2,1H3.
What are the key properties of 1,1-dichloro-4-methoxycyclohexane?
1,1-dichloro-4-methoxycyclohexane has a molecular weight of 183.08 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-4-methoxycyclohexane is sourced from PubChem (CID 123609119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).