2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol

C12H20OS — CID 164652641

IUPAC2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol
SMILESCC1(C(O)CC2CC=CC2)CCCS1
InChIInChI=1S/C12H20OS/c1-12(7-4-8-14-12)11(13)9-10-5-2-3-6-10/h2-3,10-11,13H,4-9H2,1H3
InChIKeyKNOMQGFGZRRGLU-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.99
Rot. Bonds3

About 2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol

2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol (PubChem CID 164652641) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol
PubChem CID164652641
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol
SMILESCC1(C(O)CC2CC=CC2)CCCS1
InChIInChI=1S/C12H20OS/c1-12(7-4-8-14-12)11(13)9-10-5-2-3-6-10/h2-3,10-11,13H,4-9H2,1H3
InChIKeyKNOMQGFGZRRGLU-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.99
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
1-(2-Bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-2-ol
CID 20649857
1-(2-Bicyclo[2.2.1]hept-5-enylsulfanyl)hexan-2-ol
CID 20649862
2-(7-Thiabicyclo[2.2.1]hept-5-en-2-yl)ethanol
CID 68585629
1-[(2R)-2,5-dimethylthian-3-yl]hex-5-en-1-ol
CID 69956042
1-(5-Methylthian-3-yl)hex-5-en-1-ol
CID 69957425
1-(2,3-Dihydrothiophen-2-yl)-5-methylhexan-3-ol
CID 71013581
(2S)-1-(5,6-dihydro-1-benzothiophen-5-yl)pentan-2-ol
CID 71163590
1-(5,6-Dihydro-1-benzothiophen-5-yl)pentan-2-ol
CID 71163659
1-(3-Methylcyclohex-3-en-1-yl)-2-(trimethyl-lambda4-sulfanyl)ethanol
CID 91464734
1-Cyclopent-2-en-1-yl-2-[dimethyl(methyl)-lambda4-sulfanyl]ethanol
CID 91475778

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol?
The IUPAC name of 2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol (CID 164652641) is 2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol.
What is the SMILES notation for 2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol?
The canonical SMILES for 2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol is CC1(C(O)CC2CC=CC2)CCCS1.
What is the InChIKey of 2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol?
The InChIKey is KNOMQGFGZRRGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-12(7-4-8-14-12)11(13)9-10-5-2-3-6-10/h2-3,10-11,13H,4-9H2,1H3.
What are the key properties of 2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol?
2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol has a molecular weight of 212.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanol is sourced from PubChem (CID 164652641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).