1-deuteriodec-3-en-2-one

C10H18O — CID 175786333

IUPAC1-deuteriodec-3-en-2-one
SMILES[2H]CC(=O)C=CCCCCCC
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/i2D
InChIKeyJRPDANVNRUIUAB-VMNATFBRSA-N
MW155.26 g/mol
LogP3.10
Rot. Bonds7

About 1-deuteriodec-3-en-2-one

1-deuteriodec-3-en-2-one (PubChem CID 175786333) has the molecular formula C10H18O and a molecular weight of 155.26 g/mol. Its IUPAC name is 1-deuteriodec-3-en-2-one.

Molecular Properties

Compound Name1-deuteriodec-3-en-2-one
PubChem CID175786333
Molecular FormulaC10H18O
Molecular Weight155.26 g/mol
Exact Mass155.14
IUPAC Name1-deuteriodec-3-en-2-one
SMILES[2H]CC(=O)C=CCCCCCC
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/i2D
InChIKeyJRPDANVNRUIUAB-VMNATFBRSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-deuteriodec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

gold;non-3-en-2-one
CID 159452579
dialuminum;non-3-en-2-one;tris(oxygen(2-))
CID 158998324
(3E,10Z,13Z)-nonadeca-3,10,13-trien-2-one
CID 102012881
(E)-henicos-9-en-11-one
CID 6366356
(Z)-hexadec-9-en-8-one
CID 134907163
henicos-9-en-11-one
CID 3023243
(E)-icos-11-en-10-one
CID 101359358
non-2-enoyl fluoride
CID 85320706
undec-2-enoic acid
CID 519180
hexadecanoic acid;non-3-en-2-one
CID 161074659
(3E,11E)-tetradeca-3,11-diene-2,13-dione
CID 24974321
alumane;hexadec-2-enoic acid
CID 174818671

Frequently Asked Questions

What is the IUPAC name of 1-deuteriodec-3-en-2-one?
The IUPAC name of 1-deuteriodec-3-en-2-one (CID 175786333) is 1-deuteriodec-3-en-2-one.
What is the SMILES notation for 1-deuteriodec-3-en-2-one?
The canonical SMILES for 1-deuteriodec-3-en-2-one is [2H]CC(=O)C=CCCCCCC.
What is the InChIKey of 1-deuteriodec-3-en-2-one?
The InChIKey is JRPDANVNRUIUAB-VMNATFBRSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/i2D.
What are the key properties of 1-deuteriodec-3-en-2-one?
1-deuteriodec-3-en-2-one has a molecular weight of 155.26 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuteriodec-3-en-2-one is sourced from PubChem (CID 175786333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).