4-(3-butoxyprop-1-enyl)benzaldehyde

C14H18O2 — CID 54299174

IUPAC4-(3-butoxyprop-1-enyl)benzaldehyde
SMILESCCCCOCC=Cc1ccc(C=O)cc1
InChIInChI=1S/C14H18O2/c1-2-3-10-16-11-4-5-13-6-8-14(12-15)9-7-13/h4-9,12H,2-3,10-11H2,1H3
InChIKeySCYXCVISBYWXQV-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.33
Rot. Bonds7

About 4-(3-butoxyprop-1-enyl)benzaldehyde

4-(3-butoxyprop-1-enyl)benzaldehyde (PubChem CID 54299174) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(3-butoxyprop-1-enyl)benzaldehyde.

Molecular Properties

Compound Name4-(3-butoxyprop-1-enyl)benzaldehyde
PubChem CID54299174
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-(3-butoxyprop-1-enyl)benzaldehyde
SMILESCCCCOCC=Cc1ccc(C=O)cc1
InChIInChI=1S/C14H18O2/c1-2-3-10-16-11-4-5-13-6-8-14(12-15)9-7-13/h4-9,12H,2-3,10-11H2,1H3
InChIKeySCYXCVISBYWXQV-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.33
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

1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
4-icosoxybenzaldehyde
CID 23127488
1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene
CID 173058757
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619
dodecyl (E)-4-(4-formylphenyl)but-3-enoate
CID 43835964
N-ethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 76943842
4-(4-oxobut-1-enyl)benzaldehyde
CID 170481464
4-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]benzaldehyde
CID 19765978
N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880

Frequently Asked Questions

What is the IUPAC name of 4-(3-butoxyprop-1-enyl)benzaldehyde?
The IUPAC name of 4-(3-butoxyprop-1-enyl)benzaldehyde (CID 54299174) is 4-(3-butoxyprop-1-enyl)benzaldehyde.
What is the SMILES notation for 4-(3-butoxyprop-1-enyl)benzaldehyde?
The canonical SMILES for 4-(3-butoxyprop-1-enyl)benzaldehyde is CCCCOCC=Cc1ccc(C=O)cc1.
What is the InChIKey of 4-(3-butoxyprop-1-enyl)benzaldehyde?
The InChIKey is SCYXCVISBYWXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-3-10-16-11-4-5-13-6-8-14(12-15)9-7-13/h4-9,12H,2-3,10-11H2,1H3.
What are the key properties of 4-(3-butoxyprop-1-enyl)benzaldehyde?
4-(3-butoxyprop-1-enyl)benzaldehyde has a molecular weight of 218.30 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butoxyprop-1-enyl)benzaldehyde is sourced from PubChem (CID 54299174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).