1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol

C14H26O2 — CID 106657751

IUPAC1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OCC(O)C1=CCCCCCC1
InChIInChI=1S/C14H26O2/c1-14(2,3)16-11-13(15)12-9-7-5-4-6-8-10-12/h9,13,15H,4-8,10-11H2,1-3H3
InChIKeyHZPUZYJJARYTNN-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.44
Rot. Bonds3

About 1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol

1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 106657751) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID106657751
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OCC(O)C1=CCCCCCC1
InChIInChI=1S/C14H26O2/c1-14(2,3)16-11-13(15)12-9-7-5-4-6-8-10-12/h9,13,15H,4-8,10-11H2,1-3H3
InChIKeyHZPUZYJJARYTNN-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657502
[1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106650578
1-(cyclohexen-1-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657398
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
1-(cyclohexen-1-yl)-2-methylsulfanylethanol
CID 106657946
1-(cyclohexen-1-yl)-4-methoxybutan-1-ol
CID 106657944
1-(cycloocten-1-yl)-4-ethoxybutan-1-ol
CID 106657695
1-(cycloocten-1-yl)-2-cyclopropylethanol
CID 106657572
1-(cyclohepten-1-yl)-3-ethylsulfanylpropan-1-ol
CID 106651633
2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 130589356
2-cyclobutyl-1-(cycloocten-1-yl)ethanol
CID 106657591

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 106657751) is 1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol is CC(C)(C)OCC(O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is HZPUZYJJARYTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-14(2,3)16-11-13(15)12-9-7-5-4-6-8-10-12/h9,13,15H,4-8,10-11H2,1-3H3.
What are the key properties of 1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 226.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 106657751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).