1,2,2,3,3-pentadeuteriodecan-1-one

C10H20O — CID 175815992

IUPAC1,2,2,3,3-pentadeuteriodecan-1-one
SMILES[2H]C(=O)C([2H])([2H])C([2H])([2H])CCCCCCC
InChIInChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3/i8D2,9D2,10D
InChIKeyKSMVZQYAVGTKIV-GFWWIRCNSA-N
MW161.30 g/mol
LogP3.33
Rot. Bonds8

About 1,2,2,3,3-pentadeuteriodecan-1-one

1,2,2,3,3-pentadeuteriodecan-1-one (PubChem CID 175815992) has the molecular formula C10H20O and a molecular weight of 161.30 g/mol. Its IUPAC name is 1,2,2,3,3-pentadeuteriodecan-1-one.

Molecular Properties

Compound Name1,2,2,3,3-pentadeuteriodecan-1-one
PubChem CID175815992
Molecular FormulaC10H20O
Molecular Weight161.30 g/mol
Exact Mass161.18
IUPAC Name1,2,2,3,3-pentadeuteriodecan-1-one
SMILES[2H]C(=O)C([2H])([2H])C([2H])([2H])CCCCCCC
InChIInChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3/i8D2,9D2,10D
InChIKeyKSMVZQYAVGTKIV-GFWWIRCNSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,1-dideuterio-1-deuteriooxyhexane
CID 122211903
3-deuteriooctanal
CID 91365100
(Z)-2,2,3,3-tetradeuteriooctadec-9-enoic acid
CID 162681592
methanol;undecane
CID 161373911
N,N-dimethylformamide;dodecane
CID 174900991
CID 161246447
CID 161246447
dohexacontane
CID 522644
1-bromo-7,7-dideuterioundecane
CID 11075452
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3-pentadeuteriodecan-1-one?
The IUPAC name of 1,2,2,3,3-pentadeuteriodecan-1-one (CID 175815992) is 1,2,2,3,3-pentadeuteriodecan-1-one.
What is the SMILES notation for 1,2,2,3,3-pentadeuteriodecan-1-one?
The canonical SMILES for 1,2,2,3,3-pentadeuteriodecan-1-one is [2H]C(=O)C([2H])([2H])C([2H])([2H])CCCCCCC.
What is the InChIKey of 1,2,2,3,3-pentadeuteriodecan-1-one?
The InChIKey is KSMVZQYAVGTKIV-GFWWIRCNSA-N. The full InChI is InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3/i8D2,9D2,10D.
What are the key properties of 1,2,2,3,3-pentadeuteriodecan-1-one?
1,2,2,3,3-pentadeuteriodecan-1-one has a molecular weight of 161.30 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3-pentadeuteriodecan-1-one is sourced from PubChem (CID 175815992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).