4-deuteriooctanoic acid

C8H16O2 — CID 175705635

IUPAC4-deuteriooctanoic acid
SMILES[2H]C(CCCC)CCC(=O)O
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i5D
InChIKeyWWZKQHOCKIZLMA-UICOGKGYSA-N
MW145.22 g/mol
LogP2.43
Rot. Bonds6

About 4-deuteriooctanoic acid

4-deuteriooctanoic acid (PubChem CID 175705635) has the molecular formula C8H16O2 and a molecular weight of 145.22 g/mol. Its IUPAC name is 4-deuteriooctanoic acid.

Molecular Properties

Compound Name4-deuteriooctanoic acid
PubChem CID175705635
Molecular FormulaC8H16O2
Molecular Weight145.22 g/mol
Exact Mass145.12
IUPAC Name4-deuteriooctanoic acid
SMILES[2H]C(CCCC)CCC(=O)O
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i5D
InChIKeyWWZKQHOCKIZLMA-UICOGKGYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(11R)-9,9,10,10,11-pentadeuteriohexadecanoic acid
CID 25240600
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
butane;hexanoic acid
CID 87467677
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075

Frequently Asked Questions

What is the IUPAC name of 4-deuteriooctanoic acid?
The IUPAC name of 4-deuteriooctanoic acid (CID 175705635) is 4-deuteriooctanoic acid.
What is the SMILES notation for 4-deuteriooctanoic acid?
The canonical SMILES for 4-deuteriooctanoic acid is [2H]C(CCCC)CCC(=O)O.
What is the InChIKey of 4-deuteriooctanoic acid?
The InChIKey is WWZKQHOCKIZLMA-UICOGKGYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i5D.
What are the key properties of 4-deuteriooctanoic acid?
4-deuteriooctanoic acid has a molecular weight of 145.22 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuteriooctanoic acid is sourced from PubChem (CID 175705635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).