(Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol

C20H41NO2 — CID 151601533

IUPAC(Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCCNCCO
InChIInChI=1S/C20H41NO2/c1-2-3-4-12-15-20(23)16-13-10-8-6-5-7-9-11-14-17-21-18-19-22/h10,13,20-23H,2-9,11-12,14-19H2,1H3/b13-10-/t20-/m1/s1
InChIKeySUPFOMMAVDPYLP-KTZABMDBSA-N
MW327.55 g/mol
LogP4.58
Rot. Bonds18

About (Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol

(Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol (PubChem CID 151601533) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is (Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol.

Molecular Properties

Compound Name(Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol
PubChem CID151601533
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name(Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCCNCCO
InChIInChI=1S/C20H41NO2/c1-2-3-4-12-15-20(23)16-13-10-8-6-5-7-9-11-14-17-21-18-19-22/h10,13,20-23H,2-9,11-12,14-19H2,1H3/b13-10-/t20-/m1/s1
InChIKeySUPFOMMAVDPYLP-KTZABMDBSA-N
XLogP4.58
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.55
LogP ≤ 54.58
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol?
The IUPAC name of (Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol (CID 151601533) is (Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol.
What is the SMILES notation for (Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol?
The canonical SMILES for (Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol is CCCCCC[C@@H](O)C/C=C\CCCCCCCCNCCO.
What is the InChIKey of (Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol?
The InChIKey is SUPFOMMAVDPYLP-KTZABMDBSA-N. The full InChI is InChI=1S/C20H41NO2/c1-2-3-4-12-15-20(23)16-13-10-8-6-5-7-9-11-14-17-21-18-19-22/h10,13,20-23H,2-9,11-12,14-19H2,1H3/b13-10-/t20-/m1/s1.
What are the key properties of (Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol?
(Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol has a molecular weight of 327.55 g/mol, XLogP of 4.58, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol is sourced from PubChem (CID 151601533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).