(E,2S,3R)-2-aminododec-4-ene-1,3-diol

C12H25NO2 — CID 10632468

IUPAC(E,2S,3R)-2-aminododec-4-ene-1,3-diol
SMILESCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-12(15)11(13)10-14/h8-9,11-12,14-15H,2-7,10,13H2,1H3/b9-8+/t11-,12+/m0/s1
InChIKeyNCNKWPUJUUMFNR-VDTGWRSZSA-N
MW215.34 g/mol
LogP1.58
Rot. Bonds9

About (E,2S,3R)-2-aminododec-4-ene-1,3-diol

(E,2S,3R)-2-aminododec-4-ene-1,3-diol (PubChem CID 10632468) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (E,2S,3R)-2-aminododec-4-ene-1,3-diol.

Molecular Properties

Compound Name(E,2S,3R)-2-aminododec-4-ene-1,3-diol
PubChem CID10632468
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(E,2S,3R)-2-aminododec-4-ene-1,3-diol
SMILESCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-12(15)11(13)10-14/h8-9,11-12,14-15H,2-7,10,13H2,1H3/b9-8+/t11-,12+/m0/s1
InChIKeyNCNKWPUJUUMFNR-VDTGWRSZSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-2-aminododec-4-ene-1,3-diol?
The IUPAC name of (E,2S,3R)-2-aminododec-4-ene-1,3-diol (CID 10632468) is (E,2S,3R)-2-aminododec-4-ene-1,3-diol.
What is the SMILES notation for (E,2S,3R)-2-aminododec-4-ene-1,3-diol?
The canonical SMILES for (E,2S,3R)-2-aminododec-4-ene-1,3-diol is CCCCCCC/C=C/[C@@H](O)[C@@H](N)CO.
What is the InChIKey of (E,2S,3R)-2-aminododec-4-ene-1,3-diol?
The InChIKey is NCNKWPUJUUMFNR-VDTGWRSZSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-12(15)11(13)10-14/h8-9,11-12,14-15H,2-7,10,13H2,1H3/b9-8+/t11-,12+/m0/s1.
What are the key properties of (E,2S,3R)-2-aminododec-4-ene-1,3-diol?
(E,2S,3R)-2-aminododec-4-ene-1,3-diol has a molecular weight of 215.34 g/mol, XLogP of 1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-2-aminododec-4-ene-1,3-diol is sourced from PubChem (CID 10632468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).