2-cyclopentyl-2-methoxyethanethiol

C8H16OS — CID 154776026

IUPAC2-cyclopentyl-2-methoxyethanethiol
SMILESCOC(CS)C1CCCC1
InChIInChI=1S/C8H16OS/c1-9-8(6-10)7-4-2-3-5-7/h7-8,10H,2-6H2,1H3
InChIKeyDWHWFNSGIRFQNC-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.12
Rot. Bonds3

About 2-cyclopentyl-2-methoxyethanethiol

2-cyclopentyl-2-methoxyethanethiol (PubChem CID 154776026) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-cyclopentyl-2-methoxyethanethiol.

Molecular Properties

Compound Name2-cyclopentyl-2-methoxyethanethiol
PubChem CID154776026
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-cyclopentyl-2-methoxyethanethiol
SMILESCOC(CS)C1CCCC1
InChIInChI=1S/C8H16OS/c1-9-8(6-10)7-4-2-3-5-7/h7-8,10H,2-6H2,1H3
InChIKeyDWHWFNSGIRFQNC-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-Ethoxy-2-ethylhexane-1-thiol
CID 20226901
(4-Methoxyphenyl)methylthiol
CID 44558036
3-(2-Ethylhexoxy)propane-1-thiol
CID 80027331
2-(2-Ethylhexoxy)ethanethiol
CID 80027443
4,5-Diethyl-3-methyloxolane-2-thiol
CID 90953860
1-(4-Methoxycyclohexyl)ethanethiol
CID 91027189
2-(2-Methylbutyl)oxolane-3-thiol
CID 91124956
2-(1-Methylcyclopentyl)oxypropane-1-thiol
CID 117825385
[(3S,4R,6R)-3,4,5,6-tetramethyloxan-2-yl]methanethiol
CID 117854104
2-(5-Ethyl-4-propan-2-yloxolan-3-yl)ethanethiol
CID 123238346
4-Methyl-3-propoxyheptane-1-thiol
CID 123953276
4-(1-Methylcyclopentyl)oxybutane-1-thiol
CID 124096069

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-methoxyethanethiol?
The IUPAC name of 2-cyclopentyl-2-methoxyethanethiol (CID 154776026) is 2-cyclopentyl-2-methoxyethanethiol.
What is the SMILES notation for 2-cyclopentyl-2-methoxyethanethiol?
The canonical SMILES for 2-cyclopentyl-2-methoxyethanethiol is COC(CS)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-methoxyethanethiol?
The InChIKey is DWHWFNSGIRFQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-9-8(6-10)7-4-2-3-5-7/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-cyclopentyl-2-methoxyethanethiol?
2-cyclopentyl-2-methoxyethanethiol has a molecular weight of 160.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methoxyethanethiol is sourced from PubChem (CID 154776026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).