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

C12H23NO3 — CID 130333488

IUPAC(1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
SMILESOCCOCCN[C@H]1CC/C=C\CC[C@@H]1O
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-/t11-,12-/m0/s1
InChIKeyFTVVGHIWWWMZJZ-ZMCHVJTCSA-N
MW229.32 g/mol
LogP0.44
Rot. Bonds6

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

(1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol (PubChem CID 130333488) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol.

Molecular Properties

Compound Name(1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
PubChem CID130333488
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol
SMILESOCCOCCN[C@H]1CC/C=C\CC[C@@H]1O
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-/t11-,12-/m0/s1
InChIKeyFTVVGHIWWWMZJZ-ZMCHVJTCSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol?
The IUPAC name of (1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol (CID 130333488) is (1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol.
What is the SMILES notation for (1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol?
The canonical SMILES for (1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol is OCCOCCN[C@H]1CC/C=C\CC[C@@H]1O.
What is the InChIKey of (1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol?
The InChIKey is FTVVGHIWWWMZJZ-ZMCHVJTCSA-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-/t11-,12-/m0/s1.
What are the key properties of (1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol?
(1S,4Z,8S)-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 (1S,4Z,8S)-8-[2-(2-hydroxyethoxy)ethylamino]cyclooct-4-en-1-ol is sourced from PubChem (CID 130333488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).