7,7-dimethyloctanoic acid;hafnium

C10H20HfO2 — CID 174685338

IUPAC7,7-dimethyloctanoic acid;hafnium
SMILESCC(C)(C)CCCCCC(=O)O.[Hf]
InChIInChI=1S/C10H20O2.Hf/c1-10(2,3)8-6-4-5-7-9(11)12;/h4-8H2,1-3H3,(H,11,12);
InChIKeyDKYXRSRJYYESQS-UHFFFAOYSA-N
MW350.76 g/mol
LogP3.07
Rot. Bonds5

About 7,7-dimethyloctanoic acid;hafnium

7,7-dimethyloctanoic acid;hafnium (PubChem CID 174685338) has the molecular formula C10H20HfO2 and a molecular weight of 350.76 g/mol. Its IUPAC name is 7,7-dimethyloctanoic acid;hafnium.

Molecular Properties

Compound Name7,7-dimethyloctanoic acid;hafnium
PubChem CID174685338
Molecular FormulaC10H20HfO2
Molecular Weight350.76 g/mol
Exact Mass352.09
IUPAC Name7,7-dimethyloctanoic acid;hafnium
SMILESCC(C)(C)CCCCCC(=O)O.[Hf]
InChIInChI=1S/C10H20O2.Hf/c1-10(2,3)8-6-4-5-7-9(11)12;/h4-8H2,1-3H3,(H,11,12);
InChIKeyDKYXRSRJYYESQS-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 56844010
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CID 56844104
7,7-dimethyloctanoic acid;mercury
CID 159526990
6,6-dimethylheptanoic acid;7,7-dimethyloctanoic acid;iron
CID 56841408
alumane;7,7-dimethyloctanoic acid
CID 174339298
7,7-dimethyloctanoic acid;platinum
CID 174840120
calcium;7,7-dimethyloctanoic acid;dinitrate;tetrahydrate
CID 172688261
6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 91844645
cerium;bis(7,7-dimethyloctanoic acid);8-methylnonanoic acid
CID 170846310
cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
CID 170845955
cobalt;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 170845954

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyloctanoic acid;hafnium?
The IUPAC name of 7,7-dimethyloctanoic acid;hafnium (CID 174685338) is 7,7-dimethyloctanoic acid;hafnium.
What is the SMILES notation for 7,7-dimethyloctanoic acid;hafnium?
The canonical SMILES for 7,7-dimethyloctanoic acid;hafnium is CC(C)(C)CCCCCC(=O)O.[Hf].
What is the InChIKey of 7,7-dimethyloctanoic acid;hafnium?
The InChIKey is DKYXRSRJYYESQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Hf/c1-10(2,3)8-6-4-5-7-9(11)12;/h4-8H2,1-3H3,(H,11,12);.
What are the key properties of 7,7-dimethyloctanoic acid;hafnium?
7,7-dimethyloctanoic acid;hafnium has a molecular weight of 350.76 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyloctanoic acid;hafnium is sourced from PubChem (CID 174685338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).