(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol

C8H14OS — CID 10997322

IUPAC(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol
SMILESCSC1=CCC(C)(C)[C@@H]1O
InChIInChI=1S/C8H14OS/c1-8(2)5-4-6(10-3)7(8)9/h4,7,9H,5H2,1-3H3/t7-/m1/s1
InChIKeyDOQBLTOGBPHAQY-SSDOTTSWSA-N
MW158.27 g/mol
LogP2.02
Rot. Bonds1

About (1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol

(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol (PubChem CID 10997322) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol
PubChem CID10997322
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol
SMILESCSC1=CCC(C)(C)[C@@H]1O
InChIInChI=1S/C8H14OS/c1-8(2)5-4-6(10-3)7(8)9/h4,7,9H,5H2,1-3H3/t7-/m1/s1
InChIKeyDOQBLTOGBPHAQY-SSDOTTSWSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol
CID 134896261
Tert-butyl(trimethyl)-lambda4-sulfane;cyclopent-2-en-1-ol
CID 142254234
5,5-Dimethyl-2-methylsulfanylcyclopent-2-en-1-ol
CID 11805040
4,4,6,6-Tetramethyl-2-methylsulfanylcyclohex-2-en-1-ol
CID 11830454
3-Methyl-1-(thiolan-3-yl)but-2-en-1-ol
CID 105110313
3-Methyl-1-(1-methylsulfanylcyclopropyl)but-2-en-1-ol
CID 130506381
(1R,6S)-4,4,6-trimethyl-2-methylsulfanylcyclohex-2-en-1-ol
CID 131176483
1-(2-Tert-butyl-2,3-dihydrothiophen-5-yl)ethanol
CID 145005841

Frequently Asked Questions

What is the IUPAC name of (1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol?
The IUPAC name of (1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol (CID 10997322) is (1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol?
The canonical SMILES for (1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol is CSC1=CCC(C)(C)[C@@H]1O.
What is the InChIKey of (1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol?
The InChIKey is DOQBLTOGBPHAQY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14OS/c1-8(2)5-4-6(10-3)7(8)9/h4,7,9H,5H2,1-3H3/t7-/m1/s1.
What are the key properties of (1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol?
(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol has a molecular weight of 158.27 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol is sourced from PubChem (CID 10997322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).