decanal;dihydrochloride

C10H22Cl2O — CID 87616227

IUPACdecanal;dihydrochloride
SMILESCCCCCCCCCC=O.Cl.Cl
InChIInChI=1S/C10H20O.2ClH/c1-2-3-4-5-6-7-8-9-10-11;;/h10H,2-9H2,1H3;2*1H
InChIKeyBGPYMEASGIVIES-UHFFFAOYSA-N
MW229.19 g/mol
LogP4.17
Rot. Bonds8

About decanal;dihydrochloride

decanal;dihydrochloride (PubChem CID 87616227) has the molecular formula C10H22Cl2O and a molecular weight of 229.19 g/mol. Its IUPAC name is decanal;dihydrochloride.

Molecular Properties

Compound Namedecanal;dihydrochloride
PubChem CID87616227
Molecular FormulaC10H22Cl2O
Molecular Weight229.19 g/mol
Exact Mass228.10
IUPAC Namedecanal;dihydrochloride
SMILESCCCCCCCCCC=O.Cl.Cl
InChIInChI=1S/C10H20O.2ClH/c1-2-3-4-5-6-7-8-9-10-11;;/h10H,2-9H2,1H3;2*1H
InChIKeyBGPYMEASGIVIES-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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calcium;hydride;octanal
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hexanal;titanium
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(E)-octadec-8-enal
CID 5365013
(Z)-pentadec-6-enal
CID 10489351
(Z)-tetradec-8-enal
CID 6430188

Frequently Asked Questions

What is the IUPAC name of decanal;dihydrochloride?
The IUPAC name of decanal;dihydrochloride (CID 87616227) is decanal;dihydrochloride.
What is the SMILES notation for decanal;dihydrochloride?
The canonical SMILES for decanal;dihydrochloride is CCCCCCCCCC=O.Cl.Cl.
What is the InChIKey of decanal;dihydrochloride?
The InChIKey is BGPYMEASGIVIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.2ClH/c1-2-3-4-5-6-7-8-9-10-11;;/h10H,2-9H2,1H3;2*1H.
What are the key properties of decanal;dihydrochloride?
decanal;dihydrochloride has a molecular weight of 229.19 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decanal;dihydrochloride is sourced from PubChem (CID 87616227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).