3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol

C12H18OS — CID 80698904

IUPAC3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol
SMILESCc1ccsc1C1(O)CCC(C)(C)C1
InChIInChI=1S/C12H18OS/c1-9-4-7-14-10(9)12(13)6-5-11(2,3)8-12/h4,7,13H,5-6,8H2,1-3H3
InChIKeyBPCPBEFUZFFJQG-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.45
Rot. Bonds1

About 3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol

3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol (PubChem CID 80698904) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol
PubChem CID80698904
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol
SMILESCc1ccsc1C1(O)CCC(C)(C)C1
InChIInChI=1S/C12H18OS/c1-9-4-7-14-10(9)12(13)6-5-11(2,3)8-12/h4,7,13H,5-6,8H2,1-3H3
InChIKeyBPCPBEFUZFFJQG-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol (CID 80698904) is 3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol is Cc1ccsc1C1(O)CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol?
The InChIKey is BPCPBEFUZFFJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-9-4-7-14-10(9)12(13)6-5-11(2,3)8-12/h4,7,13H,5-6,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol?
3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol has a molecular weight of 210.34 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 80698904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).