ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde

C15H24O3 — CID 176998359

IUPACethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde
SMILESCC.CC(C)Oc1cc(O)c(C=O)c(C(C)C)c1
InChIInChI=1S/C13H18O3.C2H6/c1-8(2)11-5-10(16-9(3)4)6-13(15)12(11)7-14;1-2/h5-9,15H,1-4H3;1-2H3
InChIKeyWKOLVJIOGLRMGX-UHFFFAOYSA-N
MW252.35 g/mol
LogP4.14
Rot. Bonds4

About ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde

ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde (PubChem CID 176998359) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Nameethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde
PubChem CID176998359
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nameethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde
SMILESCC.CC(C)Oc1cc(O)c(C=O)c(C(C)C)c1
InChIInChI=1S/C13H18O3.C2H6/c1-8(2)11-5-10(16-9(3)4)6-13(15)12(11)7-14;1-2/h5-9,15H,1-4H3;1-2H3
InChIKeyWKOLVJIOGLRMGX-UHFFFAOYSA-N
XLogP4.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde?
The IUPAC name of ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde (CID 176998359) is ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde.
What is the SMILES notation for ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde?
The canonical SMILES for ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde is CC.CC(C)Oc1cc(O)c(C=O)c(C(C)C)c1.
What is the InChIKey of ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde?
The InChIKey is WKOLVJIOGLRMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3.C2H6/c1-8(2)11-5-10(16-9(3)4)6-13(15)12(11)7-14;1-2/h5-9,15H,1-4H3;1-2H3.
What are the key properties of ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde?
ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde has a molecular weight of 252.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 176998359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).