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

C18H28O — CID 106663682

IUPAC2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
SMILESCc1cc(C)c(CC2(O)CC(C)(C)CC2C)c(C)c1
InChIInChI=1S/C18H28O/c1-12-7-13(2)16(14(3)8-12)10-18(19)11-17(5,6)9-15(18)4/h7-8,15,19H,9-11H2,1-6H3
InChIKeyFFLOYSSLGKDHEI-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.34
Rot. Bonds2

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

2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol (PubChem CID 106663682) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
PubChem CID106663682
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
SMILESCc1cc(C)c(CC2(O)CC(C)(C)CC2C)c(C)c1
InChIInChI=1S/C18H28O/c1-12-7-13(2)16(14(3)8-12)10-18(19)11-17(5,6)9-15(18)4/h7-8,15,19H,9-11H2,1-6H3
InChIKeyFFLOYSSLGKDHEI-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol (CID 106663682) is 2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol is Cc1cc(C)c(CC2(O)CC(C)(C)CC2C)c(C)c1.
What is the InChIKey of 2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol?
The InChIKey is FFLOYSSLGKDHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-12-7-13(2)16(14(3)8-12)10-18(19)11-17(5,6)9-15(18)4/h7-8,15,19H,9-11H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol?
2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106663682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).