1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol

C14H22OS — CID 80699590

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol
SMILESCCc1ccc(CC2(O)CCC(C)(C)C2)s1
InChIInChI=1S/C14H22OS/c1-4-11-5-6-12(16-11)9-14(15)8-7-13(2,3)10-14/h5-6,15H,4,7-10H2,1-3H3
InChIKeyWSOBGSNRPKGXQC-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.79
Rot. Bonds3

About 1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol

1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol (PubChem CID 80699590) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol
PubChem CID80699590
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol
SMILESCCc1ccc(CC2(O)CCC(C)(C)C2)s1
InChIInChI=1S/C14H22OS/c1-4-11-5-6-12(16-11)9-14(15)8-7-13(2,3)10-14/h5-6,15H,4,7-10H2,1-3H3
InChIKeyWSOBGSNRPKGXQC-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol (CID 80699590) is 1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol is CCc1ccc(CC2(O)CCC(C)(C)C2)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol?
The InChIKey is WSOBGSNRPKGXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-4-11-5-6-12(16-11)9-14(15)8-7-13(2,3)10-14/h5-6,15H,4,7-10H2,1-3H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol?
1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol has a molecular weight of 238.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 80699590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).