benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol

C19H33NO5 — CID 87586745

IUPACbenzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCNCCOCCOCCOCCO.O=Cc1ccccc1
InChIInChI=1S/C12H27NO4.C7H6O/c1-2-3-4-13-5-7-15-9-11-17-12-10-16-8-6-14;8-6-7-4-2-1-3-5-7/h13-14H,2-12H2,1H3;1-6H
InChIKeySOFGEOLGYSVPRX-UHFFFAOYSA-N
MW355.47 g/mol
LogP1.92
Rot. Bonds15

About benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol

benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 87586745) has the molecular formula C19H33NO5 and a molecular weight of 355.47 g/mol. Its IUPAC name is benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Namebenzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID87586745
Molecular FormulaC19H33NO5
Molecular Weight355.47 g/mol
Exact Mass355.24
IUPAC Namebenzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCNCCOCCOCCOCCO.O=Cc1ccccc1
InChIInChI=1S/C12H27NO4.C7H6O/c1-2-3-4-13-5-7-15-9-11-17-12-10-16-8-6-14;8-6-7-4-2-1-3-5-7/h13-14H,2-12H2,1H3;1-6H
InChIKeySOFGEOLGYSVPRX-UHFFFAOYSA-N
XLogP1.92
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

benzaldehyde;N-hexylhexan-1-amine
CID 87442359
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(hexadecylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101188232
2-[2-(butylamino)ethoxy]ethyl benzoate
CID 82532254
2-[2-(heptylamino)ethoxy]ethanol
CID 4712323
2-[2-(dodecylamino)ethoxy]ethanol
CID 4546884
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733
acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol
CID 170851878
4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde
CID 87586742
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
N-[2-(2-phenoxyethoxy)ethyl]hexan-1-amine
CID 62564835
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol (CID 87586745) is benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol is CCCCNCCOCCOCCOCCO.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is SOFGEOLGYSVPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4.C7H6O/c1-2-3-4-13-5-7-15-9-11-17-12-10-16-8-6-14;8-6-7-4-2-1-3-5-7/h13-14H,2-12H2,1H3;1-6H.
What are the key properties of benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol?
benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 355.47 g/mol, XLogP of 1.92, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 87586745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).