5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid

C24H42O3 — CID 70572176

IUPAC5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid
SMILESCCCCC(CC(CC)C(C)(C)C)C(C)(C)C.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C17H36.C7H6O3/c1-9-11-12-15(17(6,7)8)13-14(10-2)16(3,4)5;8-6-3-1-5(2-4-6)7(9)10/h14-15H,9-13H2,1-8H3;1-4,8H,(H,9,10)
InChIKeyZSGHYORUELXTHC-UHFFFAOYSA-N
MW378.60 g/mol
LogP7.39
Rot. Bonds7

About 5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid

5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid (PubChem CID 70572176) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is 5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid.

Molecular Properties

Compound Name5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid
PubChem CID70572176
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid
SMILESCCCCC(CC(CC)C(C)(C)C)C(C)(C)C.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C17H36.C7H6O3/c1-9-11-12-15(17(6,7)8)13-14(10-2)16(3,4)5;8-6-3-1-5(2-4-6)7(9)10/h14-15H,9-13H2,1-8H3;1-4,8H,(H,9,10)
InChIKeyZSGHYORUELXTHC-UHFFFAOYSA-N
XLogP7.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-hydroxy-3-(1-hydroxypentyl)benzoic acid
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3-[1-(4-hydroxyphenyl)pentyl]benzoic acid
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CID 175121768
4-(2-decyl-4-hydroxyphenyl)benzoic acid
CID 70357774
4-[(5S)-5-methylnonyl]benzoic acid
CID 18641316
4-[2-ethylhexanoyl(methyl)amino]benzoic acid
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4-hydroxybenzoic acid;silver
CID 88784168

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid?
The IUPAC name of 5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid (CID 70572176) is 5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid.
What is the SMILES notation for 5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid?
The canonical SMILES for 5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid is CCCCC(CC(CC)C(C)(C)C)C(C)(C)C.O=C(O)c1ccc(O)cc1.
What is the InChIKey of 5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid?
The InChIKey is ZSGHYORUELXTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36.C7H6O3/c1-9-11-12-15(17(6,7)8)13-14(10-2)16(3,4)5;8-6-3-1-5(2-4-6)7(9)10/h14-15H,9-13H2,1-8H3;1-4,8H,(H,9,10).
What are the key properties of 5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid?
5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid has a molecular weight of 378.60 g/mol, XLogP of 7.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid is sourced from PubChem (CID 70572176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).