2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol

C20H29NO4 — CID 173275623

IUPAC2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol
SMILESCC1CCC=CC1(C)C(=Cc1ccccc1)N(OCCO)OCCO
InChIInChI=1S/C20H29NO4/c1-17-8-6-7-11-20(17,2)19(16-18-9-4-3-5-10-18)21(24-14-12-22)25-15-13-23/h3-5,7,9-11,16-17,22-23H,6,8,12-15H2,1-2H3
InChIKeyHELMHCVNLLWYJF-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.17
Rot. Bonds9

About 2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol

2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol (PubChem CID 173275623) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol.

Molecular Properties

Compound Name2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol
PubChem CID173275623
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol
SMILESCC1CCC=CC1(C)C(=Cc1ccccc1)N(OCCO)OCCO
InChIInChI=1S/C20H29NO4/c1-17-8-6-7-11-20(17,2)19(16-18-9-4-3-5-10-18)21(24-14-12-22)25-15-13-23/h3-5,7,9-11,16-17,22-23H,6,8,12-15H2,1-2H3
InChIKeyHELMHCVNLLWYJF-UHFFFAOYSA-N
XLogP3.17
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol?
The IUPAC name of 2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol (CID 173275623) is 2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol.
What is the SMILES notation for 2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol?
The canonical SMILES for 2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol is CC1CCC=CC1(C)C(=Cc1ccccc1)N(OCCO)OCCO.
What is the InChIKey of 2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol?
The InChIKey is HELMHCVNLLWYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-17-8-6-7-11-20(17,2)19(16-18-9-4-3-5-10-18)21(24-14-12-22)25-15-13-23/h3-5,7,9-11,16-17,22-23H,6,8,12-15H2,1-2H3.
What are the key properties of 2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol?
2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol has a molecular weight of 347.46 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,6-dimethylcyclohex-2-en-1-yl)-2-phenylethenyl]-(2-hydroxyethoxy)amino]oxyethanol is sourced from PubChem (CID 173275623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).