cyclohexyl acetate;dihydrochloride

C8H16Cl2O2 — CID 140971070

IUPACcyclohexyl acetate;dihydrochloride
SMILESCC(=O)OC1CCCCC1.Cl.Cl
InChIInChI=1S/C8H14O2.2ClH/c1-7(9)10-8-5-3-2-4-6-8;;/h8H,2-6H2,1H3;2*1H
InChIKeyFACJDOKBJFKFPA-UHFFFAOYSA-N
MW215.12 g/mol
LogP2.73
Rot. Bonds1

About cyclohexyl acetate;dihydrochloride

cyclohexyl acetate;dihydrochloride (PubChem CID 140971070) has the molecular formula C8H16Cl2O2 and a molecular weight of 215.12 g/mol. Its IUPAC name is cyclohexyl acetate;dihydrochloride.

Molecular Properties

Compound Namecyclohexyl acetate;dihydrochloride
PubChem CID140971070
Molecular FormulaC8H16Cl2O2
Molecular Weight215.12 g/mol
Exact Mass214.05
IUPAC Namecyclohexyl acetate;dihydrochloride
SMILESCC(=O)OC1CCCCC1.Cl.Cl
InChIInChI=1S/C8H14O2.2ClH/c1-7(9)10-8-5-3-2-4-6-8;;/h8H,2-6H2,1H3;2*1H
InChIKeyFACJDOKBJFKFPA-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclohexyl acetate;iodoethane
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cyclopentyl acetate;methyl 2-methylprop-2-enoate
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[(3S)-oxocan-3-yl] acetate
CID 92981900
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl acetate
CID 142155546
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
dicyclononyl carbonate
CID 139618210
(2-oxo-oxacycloheptadec-7-yl) acetate
CID 54004174

Frequently Asked Questions

What is the IUPAC name of cyclohexyl acetate;dihydrochloride?
The IUPAC name of cyclohexyl acetate;dihydrochloride (CID 140971070) is cyclohexyl acetate;dihydrochloride.
What is the SMILES notation for cyclohexyl acetate;dihydrochloride?
The canonical SMILES for cyclohexyl acetate;dihydrochloride is CC(=O)OC1CCCCC1.Cl.Cl.
What is the InChIKey of cyclohexyl acetate;dihydrochloride?
The InChIKey is FACJDOKBJFKFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.2ClH/c1-7(9)10-8-5-3-2-4-6-8;;/h8H,2-6H2,1H3;2*1H.
What are the key properties of cyclohexyl acetate;dihydrochloride?
cyclohexyl acetate;dihydrochloride has a molecular weight of 215.12 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl acetate;dihydrochloride is sourced from PubChem (CID 140971070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).