2,4-dimethyloctan-2-yl 2-hydroxybenzoate

C17H26O3 — CID 166045639

IUPAC2,4-dimethyloctan-2-yl 2-hydroxybenzoate
SMILESCCCCC(C)CC(C)(C)OC(=O)c1ccccc1O
InChIInChI=1S/C17H26O3/c1-5-6-9-13(2)12-17(3,4)20-16(19)14-10-7-8-11-15(14)18/h7-8,10-11,13,18H,5-6,9,12H2,1-4H3
InChIKeyVCWBRCHPWMLIQR-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.54
Rot. Bonds7

About 2,4-dimethyloctan-2-yl 2-hydroxybenzoate

2,4-dimethyloctan-2-yl 2-hydroxybenzoate (PubChem CID 166045639) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2,4-dimethyloctan-2-yl 2-hydroxybenzoate.

Molecular Properties

Compound Name2,4-dimethyloctan-2-yl 2-hydroxybenzoate
PubChem CID166045639
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2,4-dimethyloctan-2-yl 2-hydroxybenzoate
SMILESCCCCC(C)CC(C)(C)OC(=O)c1ccccc1O
InChIInChI=1S/C17H26O3/c1-5-6-9-13(2)12-17(3,4)20-16(19)14-10-7-8-11-15(14)18/h7-8,10-11,13,18H,5-6,9,12H2,1-4H3
InChIKeyVCWBRCHPWMLIQR-UHFFFAOYSA-N
XLogP4.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate
CID 154331756
CID 71111006
CID 71111006
tert-butyl 2-hydroxybenzoate;cobalt
CID 70348779
[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 146469755
3,7-dimethyloctyl 2-hydroxybenzoate
CID 166045648
3,7,11-trimethyldodecyl 2-hydroxybenzoate
CID 166045663
icosyl 2-hydroxybenzoate
CID 19044963
(tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate
CID 66763828
bis(5-butyldecan-5-yl) benzene-1,2-dicarboxylate
CID 70543205
benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
hexyl 2-hydroxybenzoate
CID 22629
hexacosyl 2-hydroxybenzoate
CID 19044965

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloctan-2-yl 2-hydroxybenzoate?
The IUPAC name of 2,4-dimethyloctan-2-yl 2-hydroxybenzoate (CID 166045639) is 2,4-dimethyloctan-2-yl 2-hydroxybenzoate.
What is the SMILES notation for 2,4-dimethyloctan-2-yl 2-hydroxybenzoate?
The canonical SMILES for 2,4-dimethyloctan-2-yl 2-hydroxybenzoate is CCCCC(C)CC(C)(C)OC(=O)c1ccccc1O.
What is the InChIKey of 2,4-dimethyloctan-2-yl 2-hydroxybenzoate?
The InChIKey is VCWBRCHPWMLIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-6-9-13(2)12-17(3,4)20-16(19)14-10-7-8-11-15(14)18/h7-8,10-11,13,18H,5-6,9,12H2,1-4H3.
What are the key properties of 2,4-dimethyloctan-2-yl 2-hydroxybenzoate?
2,4-dimethyloctan-2-yl 2-hydroxybenzoate has a molecular weight of 278.39 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloctan-2-yl 2-hydroxybenzoate is sourced from PubChem (CID 166045639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).