hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride

C10H20Cl4HfO6 — CID 173287990

IUPAChafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
SMILESCl.Cl.Cl.Cl.O=C(O)C1CCCO1.O=C(O)C1CCCO1.[Hf]
InChIInChI=1S/2C5H8O3.4ClH.Hf/c2*6-5(7)4-2-1-3-8-4;;;;;/h2*4H,1-3H2,(H,6,7);4*1H;
InChIKeyRSJFFDOFUAAKDI-UHFFFAOYSA-N
MW556.57 g/mol
LogP2.18
Rot. Bonds2

About hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride

hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride (PubChem CID 173287990) has the molecular formula C10H20Cl4HfO6 and a molecular weight of 556.57 g/mol. Its IUPAC name is hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride.

Molecular Properties

Compound Namehafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
PubChem CID173287990
Molecular FormulaC10H20Cl4HfO6
Molecular Weight556.57 g/mol
Exact Mass555.95
IUPAC Namehafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
SMILESCl.Cl.Cl.Cl.O=C(O)C1CCCO1.O=C(O)C1CCCO1.[Hf]
InChIInChI=1S/2C5H8O3.4ClH.Hf/c2*6-5(7)4-2-1-3-8-4;;;;;/h2*4H,1-3H2,(H,6,7);4*1H;
InChIKeyRSJFFDOFUAAKDI-UHFFFAOYSA-N
XLogP2.18
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.57
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

oxolane-2-carboxylic acid;silver
CID 160678639
(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid
CID 87727117
dichlorocobalt;oxolane-2-carboxylic acid
CID 70626660
bis(oxolane-2-carboxylate);oxolane-2-carboxylic acid;titanium(3+);chloride
CID 157205388
hexane;methanol;oxolane-2-carboxylic acid
CID 70354682
2-methylpropane-1,3-diol;oxolane-2-carboxylic acid
CID 159609797
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
azanium (2R)-oxolane-2-carboxylate
CID 141340270
cyclopropyl(oxolan-2-yl)methanone
CID 65331065
2,3,3-tris(oxolan-2-yl)prop-2-enoic acid
CID 66885031
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
(2S,6R)-oxane-2,6-dicarboxylic acid
CID 22804348

Frequently Asked Questions

What is the IUPAC name of hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride?
The IUPAC name of hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride (CID 173287990) is hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride.
What is the SMILES notation for hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride?
The canonical SMILES for hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride is Cl.Cl.Cl.Cl.O=C(O)C1CCCO1.O=C(O)C1CCCO1.[Hf].
What is the InChIKey of hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride?
The InChIKey is RSJFFDOFUAAKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8O3.4ClH.Hf/c2*6-5(7)4-2-1-3-8-4;;;;;/h2*4H,1-3H2,(H,6,7);4*1H;.
What are the key properties of hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride?
hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride has a molecular weight of 556.57 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride is sourced from PubChem (CID 173287990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).