5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane

C20H44O4 — CID 165061333

IUPAC5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane
SMILESC.CC(C)(C)CCC(=O)O.CC(C)(C)CCCC(=O)O.CC(C)C
InChIInChI=1S/C8H16O2.C7H14O2.C4H10.CH4/c1-8(2,3)6-4-5-7(9)10;1-7(2,3)5-4-6(8)9;1-4(2)3;/h4-6H2,1-3H3,(H,9,10);4-5H2,1-3H3,(H,8,9);4H,1-3H3;1H4
InChIKeyRGFUNEHKFGFLPO-UHFFFAOYSA-N
MW348.57 g/mol
LogP6.48
Rot. Bonds5

About 5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane

5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane (PubChem CID 165061333) has the molecular formula C20H44O4 and a molecular weight of 348.57 g/mol. Its IUPAC name is 5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane.

Molecular Properties

Compound Name5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane
PubChem CID165061333
Molecular FormulaC20H44O4
Molecular Weight348.57 g/mol
Exact Mass348.32
IUPAC Name5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane
SMILESC.CC(C)(C)CCC(=O)O.CC(C)(C)CCCC(=O)O.CC(C)C
InChIInChI=1S/C8H16O2.C7H14O2.C4H10.CH4/c1-8(2,3)6-4-5-7(9)10;1-7(2,3)5-4-6(8)9;1-4(2)3;/h4-6H2,1-3H3,(H,9,10);4-5H2,1-3H3,(H,8,9);4H,1-3H3;1H4
InChIKeyRGFUNEHKFGFLPO-UHFFFAOYSA-N
XLogP6.48
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175566732
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CID 56844104
7,7-dimethyloctanoic acid;hafnium
CID 174685338
7,7-dimethyloctanoic acid;mercury
CID 159526990
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CID 56841408
alumane;7,7-dimethyloctanoic acid
CID 174339298
7,7-dimethyloctanoic acid;platinum
CID 174840120
5,5-dimethylhexanamide;2-methylpropane
CID 161490551
6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 91844645
cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
CID 170845955

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane?
The IUPAC name of 5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane (CID 165061333) is 5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane.
What is the SMILES notation for 5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane?
The canonical SMILES for 5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane is C.CC(C)(C)CCC(=O)O.CC(C)(C)CCCC(=O)O.CC(C)C.
What is the InChIKey of 5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane?
The InChIKey is RGFUNEHKFGFLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C7H14O2.C4H10.CH4/c1-8(2,3)6-4-5-7(9)10;1-7(2,3)5-4-6(8)9;1-4(2)3;/h4-6H2,1-3H3,(H,9,10);4-5H2,1-3H3,(H,8,9);4H,1-3H3;1H4.
What are the key properties of 5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane?
5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane has a molecular weight of 348.57 g/mol, XLogP of 6.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane is sourced from PubChem (CID 165061333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).