2-butoxy-3-tert-butylbenzaldehyde

C15H22O2 — CID 88941545

IUPAC2-butoxy-3-tert-butylbenzaldehyde
SMILESCCCCOc1c(C=O)cccc1C(C)(C)C
InChIInChI=1S/C15H22O2/c1-5-6-10-17-14-12(11-16)8-7-9-13(14)15(2,3)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyIBWSJLFBPSEQGG-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.98
Rot. Bonds5

About 2-butoxy-3-tert-butylbenzaldehyde

2-butoxy-3-tert-butylbenzaldehyde (PubChem CID 88941545) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-butoxy-3-tert-butylbenzaldehyde.

Molecular Properties

Compound Name2-butoxy-3-tert-butylbenzaldehyde
PubChem CID88941545
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-butoxy-3-tert-butylbenzaldehyde
SMILESCCCCOc1c(C=O)cccc1C(C)(C)C
InChIInChI=1S/C15H22O2/c1-5-6-10-17-14-12(11-16)8-7-9-13(14)15(2,3)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyIBWSJLFBPSEQGG-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.98
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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Related Compounds

3-bromo-2-butoxybenzaldehyde
CID 61390829
2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20990983
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
2,4-dibutoxy-5-tert-butylbenzaldehyde
CID 89282497
3-(2-methylpropyl)-2-pentoxybenzaldehyde
CID 174897838
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
1,5-diheptoxynaphthalene-2,6-dicarbaldehyde
CID 102384866
4-butoxy-3-(2-tert-butylphenoxy)-5-methoxybenzaldehyde
CID 7139103
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
butoxy-bis(2,6-ditert-butylphenoxy)alumane
CID 141314384
3-bromo-2-butoxy-5-tert-butylbenzaldehyde
CID 87533116
3-chloro-2-(3-ethoxypropoxy)benzaldehyde
CID 112611490

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3-tert-butylbenzaldehyde?
The IUPAC name of 2-butoxy-3-tert-butylbenzaldehyde (CID 88941545) is 2-butoxy-3-tert-butylbenzaldehyde.
What is the SMILES notation for 2-butoxy-3-tert-butylbenzaldehyde?
The canonical SMILES for 2-butoxy-3-tert-butylbenzaldehyde is CCCCOc1c(C=O)cccc1C(C)(C)C.
What is the InChIKey of 2-butoxy-3-tert-butylbenzaldehyde?
The InChIKey is IBWSJLFBPSEQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-6-10-17-14-12(11-16)8-7-9-13(14)15(2,3)4/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 2-butoxy-3-tert-butylbenzaldehyde?
2-butoxy-3-tert-butylbenzaldehyde has a molecular weight of 234.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3-tert-butylbenzaldehyde is sourced from PubChem (CID 88941545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).