2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol

C16H24O2 — CID 79856366

IUPAC2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol
SMILESCc1cc(C)c(C)c(OC2CCC(C)(C)C2O)c1
InChIInChI=1S/C16H24O2/c1-10-8-11(2)12(3)14(9-10)18-13-6-7-16(4,5)15(13)17/h8-9,13,15,17H,6-7H2,1-5H3
InChIKeyLHNMEBLEBYVTDD-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.54
Rot. Bonds2

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

2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol (PubChem CID 79856366) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol
PubChem CID79856366
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol
SMILESCc1cc(C)c(C)c(OC2CCC(C)(C)C2O)c1
InChIInChI=1S/C16H24O2/c1-10-8-11(2)12(3)14(9-10)18-13-6-7-16(4,5)15(13)17/h8-9,13,15,17H,6-7H2,1-5H3
InChIKeyLHNMEBLEBYVTDD-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol (CID 79856366) is 2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol is Cc1cc(C)c(C)c(OC2CCC(C)(C)C2O)c1.
What is the InChIKey of 2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol?
The InChIKey is LHNMEBLEBYVTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10-8-11(2)12(3)14(9-10)18-13-6-7-16(4,5)15(13)17/h8-9,13,15,17H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol?
2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol is sourced from PubChem (CID 79856366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).