2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol

C17H26O — CID 79863695

IUPAC2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
SMILESCc1cc(C)c(CC2(O)CCCC2(C)C)c(C)c1
InChIInChI=1S/C17H26O/c1-12-9-13(2)15(14(3)10-12)11-17(18)8-6-7-16(17,4)5/h9-10,18H,6-8,11H2,1-5H3
InChIKeySQRZSRURNJFVOS-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.10
Rot. Bonds2

About 2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol

2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol (PubChem CID 79863695) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
PubChem CID79863695
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
SMILESCc1cc(C)c(CC2(O)CCCC2(C)C)c(C)c1
InChIInChI=1S/C17H26O/c1-12-9-13(2)15(14(3)10-12)11-17(18)8-6-7-16(17,4)5/h9-10,18H,6-8,11H2,1-5H3
InChIKeySQRZSRURNJFVOS-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol (CID 79863695) is 2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol is Cc1cc(C)c(CC2(O)CCCC2(C)C)c(C)c1.
What is the InChIKey of 2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol?
The InChIKey is SQRZSRURNJFVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-12-9-13(2)15(14(3)10-12)11-17(18)8-6-7-16(17,4)5/h9-10,18H,6-8,11H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol?
2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 79863695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).