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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Related Compounds

5-(5-Fluorothiophen-2-yl)-2-methylpentan-2-ol
CID 67059523
2-[4-Fluoro-5-(3-methylpentan-3-yl)thiophen-2-yl]propan-2-ol
CID 169605289
3-Methyl-5-(5-methylthiophen-2-yl)pent-1-en-3-ol
CID 44614246
2-Thiophen-2-yldecan-2-ol
CID 65145565
2-(3,3-Dimethyl-5-hydroxypentyl)thiophene
CID 129711844
Dithenylbutanol
CID 129718718
1-Butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol
CID 135017669
1-(5-Ethylthiophen-2-yl)-6,6,6-trifluoro-2-methylhexan-2-ol
CID 113533959
6,6,6-Trifluoro-2-methyl-1-thiophen-2-ylhexan-2-ol
CID 116535790
7,7,7-Trifluoro-3-methyl-1-thiophen-2-ylheptan-3-ol
CID 116535972
2-Methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-ol
CID 165781678
2-Methyl-4-(3-methylthiophen-2-yl)butan-2-ol
CID 10986973

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).