cyclohexen-1-yl(methylsulfanyl)methanol

C8H14OS — CID 54330648

IUPACcyclohexen-1-yl(methylsulfanyl)methanol
SMILESCSC(O)C1=CCCCC1
InChIInChI=1S/C8H14OS/c1-10-8(9)7-5-3-2-4-6-7/h5,8-9H,2-4,6H2,1H3
InChIKeyIXEVAPDLKNYVOE-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.17
Rot. Bonds2

About cyclohexen-1-yl(methylsulfanyl)methanol

cyclohexen-1-yl(methylsulfanyl)methanol (PubChem CID 54330648) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is cyclohexen-1-yl(methylsulfanyl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl(methylsulfanyl)methanol
PubChem CID54330648
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Namecyclohexen-1-yl(methylsulfanyl)methanol
SMILESCSC(O)C1=CCCCC1
InChIInChI=1S/C8H14OS/c1-10-8(9)7-5-3-2-4-6-7/h5,8-9H,2-4,6H2,1H3
InChIKeyIXEVAPDLKNYVOE-UHFFFAOYSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.17
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(Trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-ol
CID 116627291
2-Cyclohexen-1-ol, 3-(2-methyl-m-dithian-2-yl)-
CID 615410
(1S,2R)-1-(cyclohexen-1-yl)-3-ethylsulfanyl-2-methylpropan-1-ol
CID 12120003
[(4S,5R)-4,5-bis(methylsulfonyl)cyclohexen-1-yl]methanol
CID 54270052
Ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
CID 143175775
5-(2H-thiopyran-3-yl)pentan-1-ol
CID 170554365
(1S,2R)-1-(cyclohexen-1-yl)-2-methyl-3-methylsulfanylpropan-1-ol
CID 12120002
(2-Butylsulfanylcyclohepten-1-yl)methanol
CID 14143547
(3-Methyl-6-methylsulfanyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methanol
CID 21597870
3-Methyl-2-(3-methylsulfanylpropyl)cyclohex-2-en-1-ol
CID 71333847
3-(3,6-dihydro-2H-thiopyran-4-yl)propan-1-ol
CID 84049774
3-(2-Ethyl-1,3-dithian-2-yl)cyclopent-2-en-1-ol
CID 85527929

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(methylsulfanyl)methanol?
The IUPAC name of cyclohexen-1-yl(methylsulfanyl)methanol (CID 54330648) is cyclohexen-1-yl(methylsulfanyl)methanol.
What is the SMILES notation for cyclohexen-1-yl(methylsulfanyl)methanol?
The canonical SMILES for cyclohexen-1-yl(methylsulfanyl)methanol is CSC(O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl(methylsulfanyl)methanol?
The InChIKey is IXEVAPDLKNYVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-10-8(9)7-5-3-2-4-6-7/h5,8-9H,2-4,6H2,1H3.
What are the key properties of cyclohexen-1-yl(methylsulfanyl)methanol?
cyclohexen-1-yl(methylsulfanyl)methanol has a molecular weight of 158.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(methylsulfanyl)methanol is sourced from PubChem (CID 54330648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).