cyclohexyl propanoate;dihydrochloride

C9H18Cl2O2 — CID 172803130

IUPACcyclohexyl propanoate;dihydrochloride
SMILESCCC(=O)OC1CCCCC1.Cl.Cl
InChIInChI=1S/C9H16O2.2ClH/c1-2-9(10)11-8-6-4-3-5-7-8;;/h8H,2-7H2,1H3;2*1H
InChIKeyRDIBHTBYUOEWKM-UHFFFAOYSA-N
MW229.15 g/mol
LogP3.12
Rot. Bonds2

About cyclohexyl propanoate;dihydrochloride

cyclohexyl propanoate;dihydrochloride (PubChem CID 172803130) has the molecular formula C9H18Cl2O2 and a molecular weight of 229.15 g/mol. Its IUPAC name is cyclohexyl propanoate;dihydrochloride.

Molecular Properties

Compound Namecyclohexyl propanoate;dihydrochloride
PubChem CID172803130
Molecular FormulaC9H18Cl2O2
Molecular Weight229.15 g/mol
Exact Mass228.07
IUPAC Namecyclohexyl propanoate;dihydrochloride
SMILESCCC(=O)OC1CCCCC1.Cl.Cl
InChIInChI=1S/C9H16O2.2ClH/c1-2-9(10)11-8-6-4-3-5-7-8;;/h8H,2-7H2,1H3;2*1H
InChIKeyRDIBHTBYUOEWKM-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl propanoate;dihydrochloride?
The IUPAC name of cyclohexyl propanoate;dihydrochloride (CID 172803130) is cyclohexyl propanoate;dihydrochloride.
What is the SMILES notation for cyclohexyl propanoate;dihydrochloride?
The canonical SMILES for cyclohexyl propanoate;dihydrochloride is CCC(=O)OC1CCCCC1.Cl.Cl.
What is the InChIKey of cyclohexyl propanoate;dihydrochloride?
The InChIKey is RDIBHTBYUOEWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.2ClH/c1-2-9(10)11-8-6-4-3-5-7-8;;/h8H,2-7H2,1H3;2*1H.
What are the key properties of cyclohexyl propanoate;dihydrochloride?
cyclohexyl propanoate;dihydrochloride has a molecular weight of 229.15 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl propanoate;dihydrochloride is sourced from PubChem (CID 172803130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).