1-(1,1-dicyclopentylethoxy)ethanethiol

C14H26OS — CID 126486621

IUPAC1-(1,1-dicyclopentylethoxy)ethanethiol
SMILESCC(S)OC(C)(C1CCCC1)C1CCCC1
InChIInChI=1S/C14H26OS/c1-11(16)15-14(2,12-7-3-4-8-12)13-9-5-6-10-13/h11-13,16H,3-10H2,1-2H3
InChIKeyFOYFCFYQODTPCW-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.42
Rot. Bonds4

About 1-(1,1-dicyclopentylethoxy)ethanethiol

1-(1,1-dicyclopentylethoxy)ethanethiol (PubChem CID 126486621) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-(1,1-dicyclopentylethoxy)ethanethiol.

Molecular Properties

Compound Name1-(1,1-dicyclopentylethoxy)ethanethiol
PubChem CID126486621
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1-(1,1-dicyclopentylethoxy)ethanethiol
SMILESCC(S)OC(C)(C1CCCC1)C1CCCC1
InChIInChI=1S/C14H26OS/c1-11(16)15-14(2,12-7-3-4-8-12)13-9-5-6-10-13/h11-13,16H,3-10H2,1-2H3
InChIKeyFOYFCFYQODTPCW-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dicyclopentylethoxy)ethanethiol?
The IUPAC name of 1-(1,1-dicyclopentylethoxy)ethanethiol (CID 126486621) is 1-(1,1-dicyclopentylethoxy)ethanethiol.
What is the SMILES notation for 1-(1,1-dicyclopentylethoxy)ethanethiol?
The canonical SMILES for 1-(1,1-dicyclopentylethoxy)ethanethiol is CC(S)OC(C)(C1CCCC1)C1CCCC1.
What is the InChIKey of 1-(1,1-dicyclopentylethoxy)ethanethiol?
The InChIKey is FOYFCFYQODTPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS/c1-11(16)15-14(2,12-7-3-4-8-12)13-9-5-6-10-13/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 1-(1,1-dicyclopentylethoxy)ethanethiol?
1-(1,1-dicyclopentylethoxy)ethanethiol has a molecular weight of 242.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dicyclopentylethoxy)ethanethiol is sourced from PubChem (CID 126486621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).