4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde

C15H18O3 — CID 11253628

IUPAC4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde
SMILESC/C(=C\OC1CCCCO1)c1ccc(C=O)cc1
InChIInChI=1S/C15H18O3/c1-12(11-18-15-4-2-3-9-17-15)14-7-5-13(10-16)6-8-14/h5-8,10-11,15H,2-4,9H2,1H3/b12-11+
InChIKeyJIEIAGCTZAJSEE-VAWYXSNFSA-N
MW246.31 g/mol
LogP3.40
Rot. Bonds4

About 4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde

4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde (PubChem CID 11253628) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde
PubChem CID11253628
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde
SMILESC/C(=C\OC1CCCCO1)c1ccc(C=O)cc1
InChIInChI=1S/C15H18O3/c1-12(11-18-15-4-2-3-9-17-15)14-7-5-13(10-16)6-8-14/h5-8,10-11,15H,2-4,9H2,1H3/b12-11+
InChIKeyJIEIAGCTZAJSEE-VAWYXSNFSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-thiophen-3-ylprop-1-enoxy]oxane
CID 11333579
4-[2-[(2S)-oxan-2-yl]oxyethyl]benzaldehyde
CID 86333516
1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone
CID 11817824
3-chloro-4-(oxan-2-yloxy)benzaldehyde
CID 87515620
4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde
CID 102266200
2-[2-(4-methoxyphenyl)ethenoxy]oxane
CID 70261442
2-[(E)-prop-1-enoxy]oxane
CID 12835881
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
4-(oxan-2-yloxy)benzoic acid
CID 11183645
2-methyl-3-[2-(oxan-2-yloxy)-5-oxocyclohexyl]prop-2-enal
CID 139608746
oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
CID 77389680
1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
CID 58975274

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde?
The IUPAC name of 4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde (CID 11253628) is 4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde.
What is the SMILES notation for 4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde?
The canonical SMILES for 4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde is C/C(=C\OC1CCCCO1)c1ccc(C=O)cc1.
What is the InChIKey of 4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde?
The InChIKey is JIEIAGCTZAJSEE-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H18O3/c1-12(11-18-15-4-2-3-9-17-15)14-7-5-13(10-16)6-8-14/h5-8,10-11,15H,2-4,9H2,1H3/b12-11+.
What are the key properties of 4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde?
4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde has a molecular weight of 246.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde is sourced from PubChem (CID 11253628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).