2-amino-2-ethenyloctadecane-1,3-diol

C20H41NO2 — CID 19927065

IUPAC2-amino-2-ethenyloctadecane-1,3-diol
SMILESC=CC(N)(CO)C(O)CCCCCCCCCCCCCCC
InChIInChI=1S/C20H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)20(21,4-2)18-22/h4,19,22-23H,2-3,5-18,21H2,1H3
InChIKeyGXQPHLCSPCUPNE-UHFFFAOYSA-N
MW327.55 g/mol
LogP4.70
Rot. Bonds17

About 2-amino-2-ethenyloctadecane-1,3-diol

2-amino-2-ethenyloctadecane-1,3-diol (PubChem CID 19927065) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 2-amino-2-ethenyloctadecane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-ethenyloctadecane-1,3-diol
PubChem CID19927065
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name2-amino-2-ethenyloctadecane-1,3-diol
SMILESC=CC(N)(CO)C(O)CCCCCCCCCCCCCCC
InChIInChI=1S/C20H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)20(21,4-2)18-22/h4,19,22-23H,2-3,5-18,21H2,1H3
InChIKeyGXQPHLCSPCUPNE-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.55
LogP ≤ 54.70
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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Related Compounds

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CID 100923980
(5R,6R)-5-ethenyl-5-propyldodecan-6-ol
CID 10354987
3-aminohenicosane-3,4-diol
CID 87769820
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
2-hex-5-enylnonadecane-1,2,3-triol
CID 87669583
(3-ethenyl-2,2,3,4-tetrahydroxynonadecyl)azanium chloride
CID 140985364
2-octadecylhenicosane-1,2,3-triol
CID 19002635
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
heptadec-1-en-3-ol
CID 11858939
undec-1-en-3-ol
CID 3015762
2-methyldodecane-2,3-diol
CID 90439854
(3R)-dec-1-en-3-ol
CID 12619485

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethenyloctadecane-1,3-diol?
The IUPAC name of 2-amino-2-ethenyloctadecane-1,3-diol (CID 19927065) is 2-amino-2-ethenyloctadecane-1,3-diol.
What is the SMILES notation for 2-amino-2-ethenyloctadecane-1,3-diol?
The canonical SMILES for 2-amino-2-ethenyloctadecane-1,3-diol is C=CC(N)(CO)C(O)CCCCCCCCCCCCCCC.
What is the InChIKey of 2-amino-2-ethenyloctadecane-1,3-diol?
The InChIKey is GXQPHLCSPCUPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)20(21,4-2)18-22/h4,19,22-23H,2-3,5-18,21H2,1H3.
What are the key properties of 2-amino-2-ethenyloctadecane-1,3-diol?
2-amino-2-ethenyloctadecane-1,3-diol has a molecular weight of 327.55 g/mol, XLogP of 4.70, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethenyloctadecane-1,3-diol is sourced from PubChem (CID 19927065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).