5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol

C20H32O — CID 175121205

IUPAC5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol
SMILESCC(=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)CC(C)O
InChIInChI=1S/C20H32O/c1-14(9-15(2)21)10-16-11-17(19(3,4)5)13-18(12-16)20(6,7)8/h10-13,15,21H,9H2,1-8H3
InChIKeyFFRQFUVSJVROPJ-UHFFFAOYSA-N
MW288.47 g/mol
LogP5.46
Rot. Bonds3

About 5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol

5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol (PubChem CID 175121205) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is 5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol
PubChem CID175121205
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol
SMILESCC(=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)CC(C)O
InChIInChI=1S/C20H32O/c1-14(9-15(2)21)10-16-11-17(19(3,4)5)13-18(12-16)20(6,7)8/h10-13,15,21H,9H2,1-8H3
InChIKeyFFRQFUVSJVROPJ-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol?
The IUPAC name of 5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol (CID 175121205) is 5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol.
What is the SMILES notation for 5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol?
The canonical SMILES for 5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol is CC(=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)CC(C)O.
What is the InChIKey of 5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol?
The InChIKey is FFRQFUVSJVROPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-14(9-15(2)21)10-16-11-17(19(3,4)5)13-18(12-16)20(6,7)8/h10-13,15,21H,9H2,1-8H3.
What are the key properties of 5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol?
5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol has a molecular weight of 288.47 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-ditert-butylphenyl)-4-methylpent-4-en-2-ol is sourced from PubChem (CID 175121205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).