3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol

C16H26O — CID 79837623

IUPAC3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol
SMILESCc1c(C)c(C)c(C(C)(C)CCO)c(C)c1C
InChIInChI=1S/C16H26O/c1-10-11(2)13(4)15(14(5)12(10)3)16(6,7)8-9-17/h17H,8-9H2,1-7H3
InChIKeyKUYLZUUVGOMXKK-UHFFFAOYSA-N
MW234.38 g/mol
LogP3.89
Rot. Bonds3

About 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol

3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol (PubChem CID 79837623) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol
PubChem CID79837623
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol
SMILESCc1c(C)c(C)c(C(C)(C)CCO)c(C)c1C
InChIInChI=1S/C16H26O/c1-10-11(2)13(4)15(14(5)12(10)3)16(6,7)8-9-17/h17H,8-9H2,1-7H3
InChIKeyKUYLZUUVGOMXKK-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol?
The IUPAC name of 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol (CID 79837623) is 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol.
What is the SMILES notation for 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol?
The canonical SMILES for 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol is Cc1c(C)c(C)c(C(C)(C)CCO)c(C)c1C.
What is the InChIKey of 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol?
The InChIKey is KUYLZUUVGOMXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-10-11(2)13(4)15(14(5)12(10)3)16(6,7)8-9-17/h17H,8-9H2,1-7H3.
What are the key properties of 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol?
3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol is sourced from PubChem (CID 79837623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).