1-(cyclohexen-1-yl)-2-methylsulfanylethanol

C9H16OS — CID 106657946

IUPAC1-(cyclohexen-1-yl)-2-methylsulfanylethanol
SMILESCSCC(O)C1=CCCCC1
InChIInChI=1S/C9H16OS/c1-11-7-9(10)8-5-3-2-4-6-8/h5,9-10H,2-4,6-7H2,1H3
InChIKeyMFJNBKHKHQFALU-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.21
Rot. Bonds3

About 1-(cyclohexen-1-yl)-2-methylsulfanylethanol

1-(cyclohexen-1-yl)-2-methylsulfanylethanol (PubChem CID 106657946) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-methylsulfanylethanol
PubChem CID106657946
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name1-(cyclohexen-1-yl)-2-methylsulfanylethanol
SMILESCSCC(O)C1=CCCCC1
InChIInChI=1S/C9H16OS/c1-11-7-9(10)8-5-3-2-4-6-8/h5,9-10H,2-4,6-7H2,1H3
InChIKeyMFJNBKHKHQFALU-UHFFFAOYSA-N
XLogP2.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
1-(cyclohepten-1-yl)-3-ethylsulfanylpropan-1-ol
CID 106651633
cyclohexen-1-ylmethanediol
CID 21392290
1-(cyclohexen-1-yl)-4-methoxybutan-1-ol
CID 106657944
1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106657751
1-(cycloocten-1-yl)-2-cyclopropylethanol
CID 106657572
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
2-cyclobutyl-1-(cyclohepten-1-yl)ethanol
CID 103165442
2-cyclobutyl-1-(cycloocten-1-yl)ethanol
CID 106657591
1-(cycloocten-1-yl)-4-ethoxybutan-1-ol
CID 106657695
[1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 106648982
1-(cyclopenten-1-yl)hexan-1-ol
CID 62078915

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-methylsulfanylethanol?
The IUPAC name of 1-(cyclohexen-1-yl)-2-methylsulfanylethanol (CID 106657946) is 1-(cyclohexen-1-yl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-methylsulfanylethanol is CSCC(O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-methylsulfanylethanol?
The InChIKey is MFJNBKHKHQFALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-11-7-9(10)8-5-3-2-4-6-8/h5,9-10H,2-4,6-7H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-methylsulfanylethanol?
1-(cyclohexen-1-yl)-2-methylsulfanylethanol has a molecular weight of 172.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-methylsulfanylethanol is sourced from PubChem (CID 106657946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).