[(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol

C9H16OS — CID 130905886

IUPAC[(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol
SMILESCCSC1=CC[C@@H](CO)CC1
InChIInChI=1S/C9H16OS/c1-2-11-9-5-3-8(7-10)4-6-9/h5,8,10H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKeyMZAXVOZJSVMIEC-MRVPVSSYSA-N
MW172.29 g/mol
LogP2.42
Rot. Bonds3

About [(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol

[(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol (PubChem CID 130905886) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is [(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol
PubChem CID130905886
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name[(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol
SMILESCCSC1=CC[C@@H](CO)CC1
InChIInChI=1S/C9H16OS/c1-2-11-9-5-3-8(7-10)4-6-9/h5,8,10H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKeyMZAXVOZJSVMIEC-MRVPVSSYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(7-Methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol
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3,7-Dimethyl-3-(methylsulfanyl)oct-6-en-1-ol
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1-(5-Ethenylcyclopent-2-en-1-yl)-2-ethylsulfanylbut-3-en-1-ol
CID 22298064
[3-Methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol
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2-(2-Bicyclo[2.2.1]hept-5-enylsulfanyl)hexan-1-ol
CID 20649899
2-[(E)-3-methylnon-6-enyl]sulfanylethanol
CID 59324361
7-Thiabicyclo[2.2.1]hept-5-en-2-ylmethanol
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(3-Methyl-2,3,3a,4,7,7a-hexahydro-1-benzothiophen-2-yl)methanol
CID 68199936
[(2R)-3-methyl-2,3,3a,4,7,7a-hexahydro-1-benzothiophen-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol (CID 130905886) is [(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol is CCSC1=CC[C@@H](CO)CC1.
What is the InChIKey of [(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol?
The InChIKey is MZAXVOZJSVMIEC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16OS/c1-2-11-9-5-3-8(7-10)4-6-9/h5,8,10H,2-4,6-7H2,1H3/t8-/m1/s1.
What are the key properties of [(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol?
[(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol has a molecular weight of 172.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-4-ethylsulfanylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 130905886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).