2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol

C15H24O4 — CID 88884744

IUPAC2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol
SMILESC=C/C=C(\OCCO)C1CC=C(C(O)OCC)CC1
InChIInChI=1S/C15H24O4/c1-3-5-14(19-11-10-16)12-6-8-13(9-7-12)15(17)18-4-2/h3,5,8,12,15-17H,1,4,6-7,9-11H2,2H3/b14-5-
InChIKeyQNBOKYPRFGUAIC-RZNTYIFUSA-N
MW268.35 g/mol
LogP2.15
Rot. Bonds8

About 2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol

2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol (PubChem CID 88884744) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol.

Molecular Properties

Compound Name2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol
PubChem CID88884744
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol
SMILESC=C/C=C(\OCCO)C1CC=C(C(O)OCC)CC1
InChIInChI=1S/C15H24O4/c1-3-5-14(19-11-10-16)12-6-8-13(9-7-12)15(17)18-4-2/h3,5,8,12,15-17H,1,4,6-7,9-11H2,2H3/b14-5-
InChIKeyQNBOKYPRFGUAIC-RZNTYIFUSA-N
XLogP2.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol?
The IUPAC name of 2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol (CID 88884744) is 2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol.
What is the SMILES notation for 2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol?
The canonical SMILES for 2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol is C=C/C=C(\OCCO)C1CC=C(C(O)OCC)CC1.
What is the InChIKey of 2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol?
The InChIKey is QNBOKYPRFGUAIC-RZNTYIFUSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-5-14(19-11-10-16)12-6-8-13(9-7-12)15(17)18-4-2/h3,5,8,12,15-17H,1,4,6-7,9-11H2,2H3/b14-5-.
What are the key properties of 2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol?
2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol has a molecular weight of 268.35 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-1-[4-[ethoxy(hydroxy)methyl]cyclohex-3-en-1-yl]buta-1,3-dienoxy]ethanol is sourced from PubChem (CID 88884744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).