4-cyclohex-2-en-1-ylthiolan-3-ol

C10H16OS — CID 114620766

IUPAC4-cyclohex-2-en-1-ylthiolan-3-ol
SMILESOC1CSCC1C1C=CCCC1
InChIInChI=1S/C10H16OS/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h2,4,8-11H,1,3,5-7H2
InChIKeyIVQYCTZNVXPDAP-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.07
Rot. Bonds1

About 4-cyclohex-2-en-1-ylthiolan-3-ol

4-cyclohex-2-en-1-ylthiolan-3-ol (PubChem CID 114620766) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-ylthiolan-3-ol.

Molecular Properties

Compound Name4-cyclohex-2-en-1-ylthiolan-3-ol
PubChem CID114620766
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name4-cyclohex-2-en-1-ylthiolan-3-ol
SMILESOC1CSCC1C1C=CCCC1
InChIInChI=1S/C10H16OS/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h2,4,8-11H,1,3,5-7H2
InChIKeyIVQYCTZNVXPDAP-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.07
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

(1R,2R)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]-2-ethylsulfanylbut-3-en-1-ol
CID 638932
1-(5-Ethenylcyclopent-2-en-1-yl)-2-ethylsulfanylbut-3-en-1-ol
CID 22298064
2-spiro[1,3-dithiolane-2,6'-2,3,4,7,8,8a-hexahydro-1H-naphthalene]-1'-ylethanol
CID 13420663
(2S)-1-(2-methyl-2-propan-2-ylthian-3-yl)hex-5-en-2-ol
CID 53720917
3-(Thian-2-yl)hex-5-en-1-ol
CID 56975610
[(7aR)-2,3,3a,4,7,7a-hexahydro-1-benzothiophen-2-yl]methanol
CID 68199882
(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
CID 68213044
2-(7-Thiabicyclo[2.2.1]hept-5-en-2-yl)ethanol
CID 68585629
2,3,3a,4,7,7a-Hexahydro-1-benzothiophen-2-ylmethanol
CID 77423267
2-(6-Hexylsulfanylhexyl)hexadec-10-en-1-ol
CID 123531369
4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol
CID 129300171

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-ylthiolan-3-ol?
The IUPAC name of 4-cyclohex-2-en-1-ylthiolan-3-ol (CID 114620766) is 4-cyclohex-2-en-1-ylthiolan-3-ol.
What is the SMILES notation for 4-cyclohex-2-en-1-ylthiolan-3-ol?
The canonical SMILES for 4-cyclohex-2-en-1-ylthiolan-3-ol is OC1CSCC1C1C=CCCC1.
What is the InChIKey of 4-cyclohex-2-en-1-ylthiolan-3-ol?
The InChIKey is IVQYCTZNVXPDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h2,4,8-11H,1,3,5-7H2.
What are the key properties of 4-cyclohex-2-en-1-ylthiolan-3-ol?
4-cyclohex-2-en-1-ylthiolan-3-ol has a molecular weight of 184.30 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-ylthiolan-3-ol is sourced from PubChem (CID 114620766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).