8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol

C18H37NO — CID 98525976

IUPAC8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol
SMILESCCCCCCCC[C@H]1N[C@@H]1CCCCCCCCO
InChIInChI=1S/C18H37NO/c1-2-3-4-5-8-11-14-17-18(19-17)15-12-9-6-7-10-13-16-20/h17-20H,2-16H2,1H3/t17-,18-/m1/s1
InChIKeyKESAODXICHRORT-QZTJIDSGSA-N
MW283.50 g/mol
LogP4.80
Rot. Bonds15

About 8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol

8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol (PubChem CID 98525976) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol.

Molecular Properties

Compound Name8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol
PubChem CID98525976
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol
SMILESCCCCCCCC[C@H]1N[C@@H]1CCCCCCCCO
InChIInChI=1S/C18H37NO/c1-2-3-4-5-8-11-14-17-18(19-17)15-12-9-6-7-10-13-16-20/h17-20H,2-16H2,1H3/t17-,18-/m1/s1
InChIKeyKESAODXICHRORT-QZTJIDSGSA-N
XLogP4.80
TPSA42.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

5-(3-ethylaziridin-2-yl)pentan-1-ol
CID 166798358
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
hexan-1-ol;nonane
CID 175106830

Frequently Asked Questions

What is the IUPAC name of 8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol?
The IUPAC name of 8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol (CID 98525976) is 8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol.
What is the SMILES notation for 8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol?
The canonical SMILES for 8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol is CCCCCCCC[C@H]1N[C@@H]1CCCCCCCCO.
What is the InChIKey of 8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol?
The InChIKey is KESAODXICHRORT-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H37NO/c1-2-3-4-5-8-11-14-17-18(19-17)15-12-9-6-7-10-13-16-20/h17-20H,2-16H2,1H3/t17-,18-/m1/s1.
What are the key properties of 8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol?
8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol has a molecular weight of 283.50 g/mol, XLogP of 4.80, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol is sourced from PubChem (CID 98525976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).