(2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol

C9H12OS — CID 134956780

IUPAC(2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol
SMILESC=C[C@@](C)(CO)c1ccsc1
InChIInChI=1S/C9H12OS/c1-3-9(2,7-10)8-4-5-11-6-8/h3-6,10H,1,7H2,2H3/t9-/m0/s1
InChIKeyIJMQLSPDZQJTFV-VIFPVBQESA-N
MW168.26 g/mol
LogP2.18
Rot. Bonds3

About (2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol

(2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol (PubChem CID 134956780) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is (2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol.

Molecular Properties

Compound Name(2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol
PubChem CID134956780
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name(2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol
SMILESC=C[C@@](C)(CO)c1ccsc1
InChIInChI=1S/C9H12OS/c1-3-9(2,7-10)8-4-5-11-6-8/h3-6,10H,1,7H2,2H3/t9-/m0/s1
InChIKeyIJMQLSPDZQJTFV-VIFPVBQESA-N
XLogP2.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol?
The IUPAC name of (2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol (CID 134956780) is (2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol.
What is the SMILES notation for (2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol?
The canonical SMILES for (2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol is C=C[C@@](C)(CO)c1ccsc1.
What is the InChIKey of (2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol?
The InChIKey is IJMQLSPDZQJTFV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12OS/c1-3-9(2,7-10)8-4-5-11-6-8/h3-6,10H,1,7H2,2H3/t9-/m0/s1.
What are the key properties of (2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol?
(2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol has a molecular weight of 168.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol is sourced from PubChem (CID 134956780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).