decanedioate dichloride

C10H16Cl2O4-4 — CID 21256251

IUPACdecanedioate dichloride
SMILESO=C([O-])CCCCCCCCC(=O)[O-].[Cl-].[Cl-]
InChIInChI=1S/C10H18O4.2ClH/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);2*1H/p-4
InChIKeyDDHPBAGICYAAKM-UHFFFAOYSA-J
MW271.14 g/mol
LogP-6.39
Rot. Bonds9

About decanedioate dichloride

decanedioate dichloride (PubChem CID 21256251) has the molecular formula C10H16Cl2O4-4 and a molecular weight of 271.14 g/mol. Its IUPAC name is decanedioate dichloride.

Molecular Properties

Compound Namedecanedioate dichloride
PubChem CID21256251
Molecular FormulaC10H16Cl2O4-4
Molecular Weight271.14 g/mol
Exact Mass270.04
IUPAC Namedecanedioate dichloride
SMILESO=C([O-])CCCCCCCCC(=O)[O-].[Cl-].[Cl-]
InChIInChI=1S/C10H18O4.2ClH/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);2*1H/p-4
InChIKeyDDHPBAGICYAAKM-UHFFFAOYSA-J
XLogP-6.39
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 5-6.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tridecanedioate
CID 6994474
dipotassium;octadecanedioate
CID 141466899
disodium;undecanedioate
CID 15107599
calcium decanedioate
CID 11637296
dibismuth;tris(nonanedioate)
CID 173224370
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
copper;zinc;bis(decanedioate)
CID 24880289
diazanium;decanedioate;tetrahydrate
CID 164522068
strontium hexanedioate
CID 134687758
magnesium hexanedioate
CID 24074
cadmium(2+);hexanedioate
CID 19376883

Frequently Asked Questions

What is the IUPAC name of decanedioate dichloride?
The IUPAC name of decanedioate dichloride (CID 21256251) is decanedioate dichloride.
What is the SMILES notation for decanedioate dichloride?
The canonical SMILES for decanedioate dichloride is O=C([O-])CCCCCCCCC(=O)[O-].[Cl-].[Cl-].
What is the InChIKey of decanedioate dichloride?
The InChIKey is DDHPBAGICYAAKM-UHFFFAOYSA-J. The full InChI is InChI=1S/C10H18O4.2ClH/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);2*1H/p-4.
What are the key properties of decanedioate dichloride?
decanedioate dichloride has a molecular weight of 271.14 g/mol, XLogP of -6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioate dichloride is sourced from PubChem (CID 21256251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).