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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Related Compounds

1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene
CID 4625492
1,3-ditert-butyl-5-[(E)-2-[3-(2,2-dibromoethenyl)-5-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 87326853
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane
CID 173177670
3-tert-butyl-5-(2-hydroxypropan-2-yl)benzaldehyde
CID 90399750
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
1-(3,5-ditert-butylphenyl)-3-sulfanylpropane-1,2-diol
CID 170821080
(E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine
CID 130474035
(E)-2,4-dimethyl-5-phenylpent-4-enal
CID 58390606
1,3-bis(3,5-ditert-butylphenyl)propan-2-one;2,6-dimethylheptan-4-one
CID 158856383
1-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-hydroxypropoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]propan-2-ol
CID 101121253

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).