3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol

C16H24O — CID 80699117

IUPAC3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol
SMILESCc1cc(C)c(C2(O)CCC(C)(C)C2)cc1C
InChIInChI=1S/C16H24O/c1-11-8-13(3)14(9-12(11)2)16(17)7-6-15(4,5)10-16/h8-9,17H,6-7,10H2,1-5H3
InChIKeyONMTYYRICRDWNV-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.01
Rot. Bonds1

About 3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol

3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol (PubChem CID 80699117) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol
PubChem CID80699117
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol
SMILESCc1cc(C)c(C2(O)CCC(C)(C)C2)cc1C
InChIInChI=1S/C16H24O/c1-11-8-13(3)14(9-12(11)2)16(17)7-6-15(4,5)10-16/h8-9,17H,6-7,10H2,1-5H3
InChIKeyONMTYYRICRDWNV-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol (CID 80699117) is 3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol is Cc1cc(C)c(C2(O)CCC(C)(C)C2)cc1C.
What is the InChIKey of 3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol?
The InChIKey is ONMTYYRICRDWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-11-8-13(3)14(9-12(11)2)16(17)7-6-15(4,5)10-16/h8-9,17H,6-7,10H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol?
3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 80699117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).