1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol

C14H20OS — CID 106657625

IUPAC1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)/C1=C/CCCCCC1
InChIInChI=1S/C14H20OS/c15-14(11-13-9-6-10-16-13)12-7-4-2-1-3-5-8-12/h6-7,9-10,14-15H,1-5,8,11H2/b12-7+
InChIKeyPEIJWDBSOJXPSB-KPKJPENVSA-N
MW236.38 g/mol
LogP3.93
Rot. Bonds3

About 1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol

1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol (PubChem CID 106657625) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol
PubChem CID106657625
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)/C1=C/CCCCCC1
InChIInChI=1S/C14H20OS/c15-14(11-13-9-6-10-16-13)12-7-4-2-1-3-5-8-12/h6-7,9-10,14-15H,1-5,8,11H2/b12-7+
InChIKeyPEIJWDBSOJXPSB-KPKJPENVSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol
CID 116660106
cyclohepten-1-yl(thiophen-2-yl)methanol
CID 62077908
[1-[(1E)-cycloocten-1-yl]-4-thiophen-2-ylbutyl]hydrazine
CID 106650086
1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol
CID 106657648
1-[(1E)-cycloocten-1-yl]-2-(3-fluorophenyl)ethanol
CID 106657561
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone
CID 103450496
cyclohexen-1-yl(thiophen-2-yl)methanamine
CID 62078485
1-[(1E)-cycloocten-1-yl]-2-(2,5-dimethylphenyl)ethanol
CID 106657597
1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol
CID 66139860
N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine
CID 62080201
1-(cyclohexen-1-yl)-2-methylsulfanylethanol
CID 106657946

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol (CID 106657625) is 1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol is OC(Cc1cccs1)/C1=C/CCCCCC1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol?
The InChIKey is PEIJWDBSOJXPSB-KPKJPENVSA-N. The full InChI is InChI=1S/C14H20OS/c15-14(11-13-9-6-10-16-13)12-7-4-2-1-3-5-8-12/h6-7,9-10,14-15H,1-5,8,11H2/b12-7+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol?
1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol has a molecular weight of 236.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol is sourced from PubChem (CID 106657625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).