5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol

C16H26OS — CID 65142694

IUPAC5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(CCc2ccsc2)C1
InChIInChI=1S/C16H26OS/c1-12(2)15-5-4-13(3)10-16(15,17)8-6-14-7-9-18-11-14/h7,9,11-13,15,17H,4-6,8,10H2,1-3H3
InChIKeyAXCIHDGJLWQTLM-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.50
Rot. Bonds4

About 5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol

5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol (PubChem CID 65142694) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
PubChem CID65142694
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(CCc2ccsc2)C1
InChIInChI=1S/C16H26OS/c1-12(2)15-5-4-13(3)10-16(15,17)8-6-14-7-9-18-11-14/h7,9,11-13,15,17H,4-6,8,10H2,1-3H3
InChIKeyAXCIHDGJLWQTLM-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-ol
CID 65154208
4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol
CID 65151466
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine
CID 65099743
1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 60798187
1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 54919417
1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 62772775
(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
CID 11401335
3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 106873818
2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64774556
pyridin-2-ylmethyl 4-[(1S,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]butanoate
CID 101363315
3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene
CID 116540728

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
The IUPAC name of 5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol (CID 65142694) is 5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
The canonical SMILES for 5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol is CC1CCC(C(C)C)C(O)(CCc2ccsc2)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
The InChIKey is AXCIHDGJLWQTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS/c1-12(2)15-5-4-13(3)10-16(15,17)8-6-14-7-9-18-11-14/h7,9,11-13,15,17H,4-6,8,10H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol?
5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol has a molecular weight of 266.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol is sourced from PubChem (CID 65142694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).