2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde

C17H26O2 — CID 141461166

IUPAC2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde
SMILESCC(C)C(C)c1cc(C=O)c(O)c(C(C)C(C)C)c1
InChIInChI=1S/C17H26O2/c1-10(2)12(5)14-7-15(9-18)17(19)16(8-14)13(6)11(3)4/h7-13,19H,1-6H3
InChIKeyLBTGFVVHCDFUHK-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.72
Rot. Bonds5

About 2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde

2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde (PubChem CID 141461166) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde
PubChem CID141461166
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde
SMILESCC(C)C(C)c1cc(C=O)c(O)c(C(C)C(C)C)c1
InChIInChI=1S/C17H26O2/c1-10(2)12(5)14-7-15(9-18)17(19)16(8-14)13(6)11(3)4/h7-13,19H,1-6H3
InChIKeyLBTGFVVHCDFUHK-UHFFFAOYSA-N
XLogP4.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde?
The IUPAC name of 2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde (CID 141461166) is 2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde is CC(C)C(C)c1cc(C=O)c(O)c(C(C)C(C)C)c1.
What is the InChIKey of 2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde?
The InChIKey is LBTGFVVHCDFUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-10(2)12(5)14-7-15(9-18)17(19)16(8-14)13(6)11(3)4/h7-13,19H,1-6H3.
What are the key properties of 2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde?
2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde has a molecular weight of 262.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde is sourced from PubChem (CID 141461166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).