1-thiophen-3-ylcyclooctan-1-ol

C12H18OS — CID 66987938

IUPAC1-thiophen-3-ylcyclooctan-1-ol
SMILESOC1(c2ccsc2)CCCCCCC1
InChIInChI=1S/C12H18OS/c13-12(11-6-9-14-10-11)7-4-2-1-3-5-8-12/h6,9-10,13H,1-5,7-8H2
InChIKeyIVYBDDADNMEGIH-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.68
Rot. Bonds1

About 1-thiophen-3-ylcyclooctan-1-ol

1-thiophen-3-ylcyclooctan-1-ol (PubChem CID 66987938) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 1-thiophen-3-ylcyclooctan-1-ol.

Molecular Properties

Compound Name1-thiophen-3-ylcyclooctan-1-ol
PubChem CID66987938
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name1-thiophen-3-ylcyclooctan-1-ol
SMILESOC1(c2ccsc2)CCCCCCC1
InChIInChI=1S/C12H18OS/c13-12(11-6-9-14-10-11)7-4-2-1-3-5-8-12/h6,9-10,13H,1-5,7-8H2
InChIKeyIVYBDDADNMEGIH-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylcyclooctan-1-ol?
The IUPAC name of 1-thiophen-3-ylcyclooctan-1-ol (CID 66987938) is 1-thiophen-3-ylcyclooctan-1-ol.
What is the SMILES notation for 1-thiophen-3-ylcyclooctan-1-ol?
The canonical SMILES for 1-thiophen-3-ylcyclooctan-1-ol is OC1(c2ccsc2)CCCCCCC1.
What is the InChIKey of 1-thiophen-3-ylcyclooctan-1-ol?
The InChIKey is IVYBDDADNMEGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c13-12(11-6-9-14-10-11)7-4-2-1-3-5-8-12/h6,9-10,13H,1-5,7-8H2.
What are the key properties of 1-thiophen-3-ylcyclooctan-1-ol?
1-thiophen-3-ylcyclooctan-1-ol has a molecular weight of 210.34 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylcyclooctan-1-ol is sourced from PubChem (CID 66987938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).