acetic acid;2,2-diethylbutanoic acid

C10H20O4 — CID 162011618

IUPACacetic acid;2,2-diethylbutanoic acid
SMILESCC(=O)O.CCC(CC)(CC)C(=O)O
InChIInChI=1S/C8H16O2.C2H4O2/c1-4-8(5-2,6-3)7(9)10;1-2(3)4/h4-6H2,1-3H3,(H,9,10);1H3,(H,3,4)
InChIKeyYTOBRGKLZGWAKB-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.38
Rot. Bonds4

About acetic acid;2,2-diethylbutanoic acid

acetic acid;2,2-diethylbutanoic acid (PubChem CID 162011618) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is acetic acid;2,2-diethylbutanoic acid.

Molecular Properties

Compound Nameacetic acid;2,2-diethylbutanoic acid
PubChem CID162011618
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Nameacetic acid;2,2-diethylbutanoic acid
SMILESCC(=O)O.CCC(CC)(CC)C(=O)O
InChIInChI=1S/C8H16O2.C2H4O2/c1-4-8(5-2,6-3)7(9)10;1-2(3)4/h4-6H2,1-3H3,(H,9,10);1H3,(H,3,4)
InChIKeyYTOBRGKLZGWAKB-UHFFFAOYSA-N
XLogP2.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azane;2,2-diethylbutanoic acid
CID 173369262
acetonitrile;azane;2,2-diethylbutanoic acid
CID 175092493
2,2-diethylbutanoic acid;tetrapropylazanium
CID 160796850
acetic acid;bis(1,1,1-trichloropropane)
CID 173372937
acetic acid;1,1,1-trichloropropane
CID 173429794
CID 87969329
CID 87969329
2,2-diethylhexanoic acid;nickel
CID 174321081
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
2,2-diethylhexanoic acid;indigane
CID 175172164
2,2-diethyl-5-hydroxypentanoic acid
CID 79425038
2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-(methoxymethyl)butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]-2-(methoxymethyl)butanoic acid
CID 162457918
2,2-diethyltridecanoic acid
CID 138578067

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,2-diethylbutanoic acid?
The IUPAC name of acetic acid;2,2-diethylbutanoic acid (CID 162011618) is acetic acid;2,2-diethylbutanoic acid.
What is the SMILES notation for acetic acid;2,2-diethylbutanoic acid?
The canonical SMILES for acetic acid;2,2-diethylbutanoic acid is CC(=O)O.CCC(CC)(CC)C(=O)O.
What is the InChIKey of acetic acid;2,2-diethylbutanoic acid?
The InChIKey is YTOBRGKLZGWAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H4O2/c1-4-8(5-2,6-3)7(9)10;1-2(3)4/h4-6H2,1-3H3,(H,9,10);1H3,(H,3,4).
What are the key properties of acetic acid;2,2-diethylbutanoic acid?
acetic acid;2,2-diethylbutanoic acid has a molecular weight of 204.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,2-diethylbutanoic acid is sourced from PubChem (CID 162011618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).