2,6-bis(4,4-dimethylpentyl)phenol

C20H34O — CID 170103636

IUPAC2,6-bis(4,4-dimethylpentyl)phenol
SMILESCC(C)(C)CCCc1cccc(CCCC(C)(C)C)c1O
InChIInChI=1S/C20H34O/c1-19(2,3)14-8-12-16-10-7-11-17(18(16)21)13-9-15-20(4,5)6/h7,10-11,21H,8-9,12-15H2,1-6H3
InChIKeyMMIZZVWXWNMARP-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.13
Rot. Bonds6

About 2,6-bis(4,4-dimethylpentyl)phenol

2,6-bis(4,4-dimethylpentyl)phenol (PubChem CID 170103636) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 2,6-bis(4,4-dimethylpentyl)phenol.

Molecular Properties

Compound Name2,6-bis(4,4-dimethylpentyl)phenol
PubChem CID170103636
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name2,6-bis(4,4-dimethylpentyl)phenol
SMILESCC(C)(C)CCCc1cccc(CCCC(C)(C)C)c1O
InChIInChI=1S/C20H34O/c1-19(2,3)14-8-12-16-10-7-11-17(18(16)21)13-9-15-20(4,5)6/h7,10-11,21H,8-9,12-15H2,1-6H3
InChIKeyMMIZZVWXWNMARP-UHFFFAOYSA-N
XLogP6.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-bis(6,6-dimethylheptyl)benzene-1,2,3-triol
CID 170103716
5-[2-(4,4-dimethylpentyl)phenyl]-2,2-dimethylpentanoic acid
CID 157308896
2-(6,6-dimethylheptyl)-1-(5,5-dimethylhexyl)-3-methylbenzene
CID 164595058
2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
CID 101275830
4-(4,4-dimethylpentyl)phenol
CID 20692467
2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol
CID 12617722
2,6-bis(6-methylheptyl)phenol
CID 14252215
2-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
2-(aminomethyl)-6-butylphenol
CID 142528852
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
CID 12617723
2-tert-butyl-6-pentadecylphenol
CID 151192860
4-(6,6-dimethylheptyl)-3-(7,7-dimethyloctyl)benzene-1,2-diol
CID 170103878

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4,4-dimethylpentyl)phenol?
The IUPAC name of 2,6-bis(4,4-dimethylpentyl)phenol (CID 170103636) is 2,6-bis(4,4-dimethylpentyl)phenol.
What is the SMILES notation for 2,6-bis(4,4-dimethylpentyl)phenol?
The canonical SMILES for 2,6-bis(4,4-dimethylpentyl)phenol is CC(C)(C)CCCc1cccc(CCCC(C)(C)C)c1O.
What is the InChIKey of 2,6-bis(4,4-dimethylpentyl)phenol?
The InChIKey is MMIZZVWXWNMARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-19(2,3)14-8-12-16-10-7-11-17(18(16)21)13-9-15-20(4,5)6/h7,10-11,21H,8-9,12-15H2,1-6H3.
What are the key properties of 2,6-bis(4,4-dimethylpentyl)phenol?
2,6-bis(4,4-dimethylpentyl)phenol has a molecular weight of 290.49 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4,4-dimethylpentyl)phenol is sourced from PubChem (CID 170103636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).