4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol

C9H16OS — CID 153010643

IUPAC4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol
SMILESCSC(C)C1=CCC(O)CC1
InChIInChI=1S/C9H16OS/c1-7(11-2)8-3-5-9(10)6-4-8/h3,7,9-10H,4-6H2,1-2H3
InChIKeyUZZIXGXNOAEZSL-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.21
Rot. Bonds2

About 4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol

4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol (PubChem CID 153010643) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol
PubChem CID153010643
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol
SMILESCSC(C)C1=CCC(O)CC1
InChIInChI=1S/C9H16OS/c1-7(11-2)8-3-5-9(10)6-4-8/h3,7,9-10H,4-6H2,1-2H3
InChIKeyUZZIXGXNOAEZSL-UHFFFAOYSA-N
XLogP2.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol?
The IUPAC name of 4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol (CID 153010643) is 4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol.
What is the SMILES notation for 4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol?
The canonical SMILES for 4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol is CSC(C)C1=CCC(O)CC1.
What is the InChIKey of 4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol?
The InChIKey is UZZIXGXNOAEZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-7(11-2)8-3-5-9(10)6-4-8/h3,7,9-10H,4-6H2,1-2H3.
What are the key properties of 4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol?
4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol has a molecular weight of 172.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfanylethyl)cyclohex-3-en-1-ol is sourced from PubChem (CID 153010643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).