(7R)-18-aminooctadec-9-en-7-ol

C18H37NO — CID 54304535

IUPAC(7R)-18-aminooctadec-9-en-7-ol
SMILESCCCCCC[C@@H](O)CC=CCCCCCCCCN
InChIInChI=1S/C18H37NO/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18,20H,2-9,11-12,14-17,19H2,1H3/t18-/m1/s1
InChIKeySGOQMDILVDEGKA-GOSISDBHSA-N
MW283.50 g/mol
LogP4.95
Rot. Bonds15

About (7R)-18-aminooctadec-9-en-7-ol

(7R)-18-aminooctadec-9-en-7-ol (PubChem CID 54304535) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is (7R)-18-aminooctadec-9-en-7-ol.

Molecular Properties

Compound Name(7R)-18-aminooctadec-9-en-7-ol
PubChem CID54304535
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name(7R)-18-aminooctadec-9-en-7-ol
SMILESCCCCCC[C@@H](O)CC=CCCCCCCCCN
InChIInChI=1S/C18H37NO/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18,20H,2-9,11-12,14-17,19H2,1H3/t18-/m1/s1
InChIKeySGOQMDILVDEGKA-GOSISDBHSA-N
XLogP4.95
TPSA46.25 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 ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (7R)-18-aminooctadec-9-en-7-ol?
The IUPAC name of (7R)-18-aminooctadec-9-en-7-ol (CID 54304535) is (7R)-18-aminooctadec-9-en-7-ol.
What is the SMILES notation for (7R)-18-aminooctadec-9-en-7-ol?
The canonical SMILES for (7R)-18-aminooctadec-9-en-7-ol is CCCCCC[C@@H](O)CC=CCCCCCCCCN.
What is the InChIKey of (7R)-18-aminooctadec-9-en-7-ol?
The InChIKey is SGOQMDILVDEGKA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H37NO/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18,20H,2-9,11-12,14-17,19H2,1H3/t18-/m1/s1.
What are the key properties of (7R)-18-aminooctadec-9-en-7-ol?
(7R)-18-aminooctadec-9-en-7-ol has a molecular weight of 283.50 g/mol, XLogP of 4.95, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-18-aminooctadec-9-en-7-ol is sourced from PubChem (CID 54304535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).