(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol

C12H18OS — CID 115805572

IUPAC(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
SMILESCC1(C)C(C(O)c2ccsc2)C1(C)C
InChIInChI=1S/C12H18OS/c1-11(2)10(12(11,3)4)9(13)8-5-6-14-7-8/h5-7,9-10,13H,1-4H3
InChIKeySZOJGAMCNOLIPM-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.46
Rot. Bonds2

About (2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol

(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol (PubChem CID 115805572) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is (2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
PubChem CID115805572
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
SMILESCC1(C)C(C(O)c2ccsc2)C1(C)C
InChIInChI=1S/C12H18OS/c1-11(2)10(12(11,3)4)9(13)8-5-6-14-7-8/h5-7,9-10,13H,1-4H3
InChIKeySZOJGAMCNOLIPM-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol?
The IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol (CID 115805572) is (2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol?
The canonical SMILES for (2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol is CC1(C)C(C(O)c2ccsc2)C1(C)C.
What is the InChIKey of (2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol?
The InChIKey is SZOJGAMCNOLIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-11(2)10(12(11,3)4)9(13)8-5-6-14-7-8/h5-7,9-10,13H,1-4H3.
What are the key properties of (2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol?
(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol has a molecular weight of 210.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 115805572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).