1-(cycloocten-1-yl)-4-ethoxybutan-1-ol

C14H26O2 — CID 106657695

IUPAC1-(cycloocten-1-yl)-4-ethoxybutan-1-ol
SMILESCCOCCCC(O)C1=CCCCCCC1
InChIInChI=1S/C14H26O2/c1-2-16-12-8-11-14(15)13-9-6-4-3-5-7-10-13/h9,14-15H,2-8,10-12H2,1H3
InChIKeyFGGARYIARAZPGR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.44
Rot. Bonds6

About 1-(cycloocten-1-yl)-4-ethoxybutan-1-ol

1-(cycloocten-1-yl)-4-ethoxybutan-1-ol (PubChem CID 106657695) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-4-ethoxybutan-1-ol.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-4-ethoxybutan-1-ol
PubChem CID106657695
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(cycloocten-1-yl)-4-ethoxybutan-1-ol
SMILESCCOCCCC(O)C1=CCCCCCC1
InChIInChI=1S/C14H26O2/c1-2-16-12-8-11-14(15)13-9-6-4-3-5-7-10-13/h9,14-15H,2-8,10-12H2,1H3
InChIKeyFGGARYIARAZPGR-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohepten-1-yl)-4-ethoxybutan-1-amine
CID 106657181
1-(cyclohexen-1-yl)-4-methoxybutan-1-ol
CID 106657944
[1-(cycloocten-1-yl)-3-ethoxypropyl]hydrazine
CID 106650004
1-(cyclohepten-1-yl)-3-ethylsulfanylpropan-1-ol
CID 106651633
1-(cyclopenten-1-yl)hexan-1-ol
CID 62078915
1-(cycloocten-1-yl)-2-cyclopropylethanol
CID 106657572
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106657751
ethyl 2-[(1E)-cyclododecen-1-yl]-2-hydroxyacetate
CID 165457413
1-(cyclohexen-1-yl)-2-methylsulfanylethanol
CID 106657946
2-cyclobutyl-1-(cycloocten-1-yl)ethanol
CID 106657591
1-(cyclohexen-1-yl)-2-ethoxyethanamine
CID 106653369

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-4-ethoxybutan-1-ol?
The IUPAC name of 1-(cycloocten-1-yl)-4-ethoxybutan-1-ol (CID 106657695) is 1-(cycloocten-1-yl)-4-ethoxybutan-1-ol.
What is the SMILES notation for 1-(cycloocten-1-yl)-4-ethoxybutan-1-ol?
The canonical SMILES for 1-(cycloocten-1-yl)-4-ethoxybutan-1-ol is CCOCCCC(O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-4-ethoxybutan-1-ol?
The InChIKey is FGGARYIARAZPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-16-12-8-11-14(15)13-9-6-4-3-5-7-10-13/h9,14-15H,2-8,10-12H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-4-ethoxybutan-1-ol?
1-(cycloocten-1-yl)-4-ethoxybutan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-4-ethoxybutan-1-ol is sourced from PubChem (CID 106657695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).