(4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol

C12H23NO3 — CID 118865753

IUPAC(4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
SMILESOCCOCCNC1CC/C=C\CCC1O
InChIInChI=1S/C12H23NO3/c14-8-10-16-9-7-13-11-5-3-1-2-4-6-12(11)15/h1-2,11-15H,3-10H2/b2-1-
InChIKeyFTVVGHIWWWMZJZ-UPHRSURJSA-N
MW229.32 g/mol
LogP0.44
Rot. Bonds6

About (4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol

(4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol (PubChem CID 118865753) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol.

Molecular Properties

Compound Name(4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
PubChem CID118865753
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
SMILESOCCOCCNC1CC/C=C\CCC1O
InChIInChI=1S/C12H23NO3/c14-8-10-16-9-7-13-11-5-3-1-2-4-6-12(11)15/h1-2,11-15H,3-10H2/b2-1-
InChIKeyFTVVGHIWWWMZJZ-UPHRSURJSA-N
XLogP0.44
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(4z)-8-(Methylamino)cyclooct-4-en-1-ol
CID 12379044
2-[1-[2-[1-[2-[3-(Octadec-9-enylamino)propylamino]propoxy]propan-2-yloxy]propoxy]propan-2-yloxy]propan-1-ol
CID 156596275
(4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
CID 118891614
(4E,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
CID 118891615
(1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
CID 130333488
(1S,4E,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
CID 130341008
8-[2-(2-Hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
CID 173621945
2-[2-(Dec-1-en-4-ylamino)ethoxy]ethanol
CID 4712393
(4Z)-8-(ethylamino)cyclooct-4-en-1-ol
CID 12379046
(1R,4Z,8R)-8-(ethylamino)cyclooct-4-en-1-ol
CID 12379047
(4Z)-8-[(Propan-2-yl)amino]cyclooct-4-en-1-ol
CID 12379048
4-[2-(Cyclohexen-1-yl)ethylamino]oxolan-3-ol
CID 62325082

Frequently Asked Questions

What is the IUPAC name of (4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol?
The IUPAC name of (4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol (CID 118865753) is (4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol.
What is the SMILES notation for (4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol?
The canonical SMILES for (4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol is OCCOCCNC1CC/C=C\CCC1O.
What is the InChIKey of (4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol?
The InChIKey is FTVVGHIWWWMZJZ-UPHRSURJSA-N. The full InChI is InChI=1S/C12H23NO3/c14-8-10-16-9-7-13-11-5-3-1-2-4-6-12(11)15/h1-2,11-15H,3-10H2/b2-1-.
What are the key properties of (4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol?
(4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol has a molecular weight of 229.32 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol is sourced from PubChem (CID 118865753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).