2-(dideuteriomethyl)nonanoic acid

C10H20O2 — CID 175961582

IUPAC2-(dideuteriomethyl)nonanoic acid
SMILES[2H]C([2H])C(CCCCCCC)C(=O)O
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-8-9(2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)/i2D2
InChIKeyKUSYIGBGHPOWEL-CBTSVUPCSA-N
MW174.28 g/mol
LogP3.07
Rot. Bonds8

About 2-(dideuteriomethyl)nonanoic acid

2-(dideuteriomethyl)nonanoic acid (PubChem CID 175961582) has the molecular formula C10H20O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-(dideuteriomethyl)nonanoic acid.

Molecular Properties

Compound Name2-(dideuteriomethyl)nonanoic acid
PubChem CID175961582
Molecular FormulaC10H20O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-(dideuteriomethyl)nonanoic acid
SMILES[2H]C([2H])C(CCCCCCC)C(=O)O
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-8-9(2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)/i2D2
InChIKeyKUSYIGBGHPOWEL-CBTSVUPCSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
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

heptane;2-methylheptadecanoic acid
CID 175511035
2-methyloctanoic acid chloride
CID 86745562
methanol;2-methylheptanoic acid
CID 174821979
2,9,10-trimethyloctadecanoic acid
CID 14298664
2,11-dimethylhexadecanoic acid
CID 22251936
2-dodecyl-14-hydroxyicosanoic acid
CID 87612369
2,5-dimethylhexadecanoic acid
CID 22251811
2-(10-hydroxyhexadecyl)hexacosanoic acid
CID 87612746
2-icosylpropanedioic acid
CID 11582738
2-octylpropanedioic acid
CID 12972
2-nonacosylpropanedioic acid
CID 19851286
9-(hydroxymethyl)-2-methyloctadecanoic acid
CID 54108308

Frequently Asked Questions

What is the IUPAC name of 2-(dideuteriomethyl)nonanoic acid?
The IUPAC name of 2-(dideuteriomethyl)nonanoic acid (CID 175961582) is 2-(dideuteriomethyl)nonanoic acid.
What is the SMILES notation for 2-(dideuteriomethyl)nonanoic acid?
The canonical SMILES for 2-(dideuteriomethyl)nonanoic acid is [2H]C([2H])C(CCCCCCC)C(=O)O.
What is the InChIKey of 2-(dideuteriomethyl)nonanoic acid?
The InChIKey is KUSYIGBGHPOWEL-CBTSVUPCSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9(2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)/i2D2.
What are the key properties of 2-(dideuteriomethyl)nonanoic acid?
2-(dideuteriomethyl)nonanoic acid has a molecular weight of 174.28 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dideuteriomethyl)nonanoic acid is sourced from PubChem (CID 175961582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).