8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol

C16H31NO2 — CID 88840096

IUPAC8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol
SMILESC=CC(O)CCCCCNCCCCCC(O)C=C
InChIInChI=1S/C16H31NO2/c1-3-15(18)11-7-5-9-13-17-14-10-6-8-12-16(19)4-2/h3-4,15-19H,1-2,5-14H2
InChIKeyGKXINYRRPCAIJX-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.79
Rot. Bonds14

About 8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol

8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol (PubChem CID 88840096) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol.

Molecular Properties

Compound Name8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol
PubChem CID88840096
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol
SMILESC=CC(O)CCCCCNCCCCCC(O)C=C
InChIInChI=1S/C16H31NO2/c1-3-15(18)11-7-5-9-13-17-14-10-6-8-12-16(19)4-2/h3-4,15-19H,1-2,5-14H2
InChIKeyGKXINYRRPCAIJX-UHFFFAOYSA-N
XLogP2.79
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.79
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 8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol?
The IUPAC name of 8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol (CID 88840096) is 8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol.
What is the SMILES notation for 8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol?
The canonical SMILES for 8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol is C=CC(O)CCCCCNCCCCCC(O)C=C.
What is the InChIKey of 8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol?
The InChIKey is GKXINYRRPCAIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-15(18)11-7-5-9-13-17-14-10-6-8-12-16(19)4-2/h3-4,15-19H,1-2,5-14H2.
What are the key properties of 8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol?
8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol has a molecular weight of 269.43 g/mol, XLogP of 2.79, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-hydroxyoct-7-enylamino)oct-1-en-3-ol is sourced from PubChem (CID 88840096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).