4-[(2-methylpropan-2-yl)oxy]butanal

C8H16O2 — CID 15468912

IUPAC4-[(2-methylpropan-2-yl)oxy]butanal
SMILESCC(C)(C)OCCCC=O
InChIInChI=1S/C8H16O2/c1-8(2,3)10-7-5-4-6-9/h6H,4-5,7H2,1-3H3
InChIKeyZJVRXWVVJPAKGP-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.78
Rot. Bonds4

About 4-[(2-methylpropan-2-yl)oxy]butanal

4-[(2-methylpropan-2-yl)oxy]butanal (PubChem CID 15468912) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]butanal.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]butanal
PubChem CID15468912
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-[(2-methylpropan-2-yl)oxy]butanal
SMILESCC(C)(C)OCCCC=O
InChIInChI=1S/C8H16O2/c1-8(2,3)10-7-5-4-6-9/h6H,4-5,7H2,1-3H3
InChIKeyZJVRXWVVJPAKGP-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]butanal?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]butanal (CID 15468912) is 4-[(2-methylpropan-2-yl)oxy]butanal.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]butanal?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]butanal is CC(C)(C)OCCCC=O.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]butanal?
The InChIKey is ZJVRXWVVJPAKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-8(2,3)10-7-5-4-6-9/h6H,4-5,7H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]butanal?
4-[(2-methylpropan-2-yl)oxy]butanal has a molecular weight of 144.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]butanal is sourced from PubChem (CID 15468912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).