2-decyl-3-deuteriooxirane

C12H24O — CID 135036609

IUPAC2-decyl-3-deuteriooxirane
SMILES[2H]C1OC1CCCCCCCCCC
InChIInChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3/i11D
InChIKeyMPGABYXKKCLIRW-WORMITQPSA-N
MW185.33 g/mol
LogP3.92
Rot. Bonds9

About 2-decyl-3-deuteriooxirane

2-decyl-3-deuteriooxirane (PubChem CID 135036609) has the molecular formula C12H24O and a molecular weight of 185.33 g/mol. Its IUPAC name is 2-decyl-3-deuteriooxirane.

Molecular Properties

Compound Name2-decyl-3-deuteriooxirane
PubChem CID135036609
Molecular FormulaC12H24O
Molecular Weight185.33 g/mol
Exact Mass185.19
IUPAC Name2-decyl-3-deuteriooxirane
SMILES[2H]C1OC1CCCCCCCCCC
InChIInChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3/i11D
InChIKeyMPGABYXKKCLIRW-WORMITQPSA-N
XLogP3.92
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
(2R)-2-pentyloxirane
CID 11147691
2-octadecyloxetane
CID 168986267
ethene;2-hexadecyloxirane
CID 174880180
2-hexadecyloxirane;oxirane
CID 175319175
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690

Frequently Asked Questions

What is the IUPAC name of 2-decyl-3-deuteriooxirane?
The IUPAC name of 2-decyl-3-deuteriooxirane (CID 135036609) is 2-decyl-3-deuteriooxirane.
What is the SMILES notation for 2-decyl-3-deuteriooxirane?
The canonical SMILES for 2-decyl-3-deuteriooxirane is [2H]C1OC1CCCCCCCCCC.
What is the InChIKey of 2-decyl-3-deuteriooxirane?
The InChIKey is MPGABYXKKCLIRW-WORMITQPSA-N. The full InChI is InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3/i11D.
What are the key properties of 2-decyl-3-deuteriooxirane?
2-decyl-3-deuteriooxirane has a molecular weight of 185.33 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3-deuteriooxirane is sourced from PubChem (CID 135036609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).