3-hex-1-en-3-yloxybenzaldehyde

C13H16O2 — CID 73229567

IUPAC3-hex-1-en-3-yloxybenzaldehyde
SMILESC=CC(CCC)Oc1cccc(C=O)c1
InChIInChI=1S/C13H16O2/c1-3-6-12(4-2)15-13-8-5-7-11(9-13)10-14/h4-5,7-10,12H,2-3,6H2,1H3
InChIKeyQUJYTZTXNCOIFO-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.23
Rot. Bonds6

About 3-hex-1-en-3-yloxybenzaldehyde

3-hex-1-en-3-yloxybenzaldehyde (PubChem CID 73229567) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-hex-1-en-3-yloxybenzaldehyde.

Molecular Properties

Compound Name3-hex-1-en-3-yloxybenzaldehyde
PubChem CID73229567
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3-hex-1-en-3-yloxybenzaldehyde
SMILESC=CC(CCC)Oc1cccc(C=O)c1
InChIInChI=1S/C13H16O2/c1-3-6-12(4-2)15-13-8-5-7-11(9-13)10-14/h4-5,7-10,12H,2-3,6H2,1H3
InChIKeyQUJYTZTXNCOIFO-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate
CID 102471013
[(3S)-hex-1-en-3-yl]oxybenzene
CID 100974430
2-(3-formylphenoxy)-N-pentan-2-ylpropanamide
CID 43112275
3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde
CID 7343496
1-ethenyl-3-hexan-3-yloxybenzene
CID 22475808
1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene
CID 11321707
2-(3-formylphenoxy)octanamide
CID 123140389
(2R)-2-(3-formylphenoxy)propanoic acid
CID 907308
3-butoxybenzaldehyde;ethane
CID 91380350
3-(1,2,3-trifluoropropoxy)benzaldehyde
CID 21071549
3-(3,3-difluoropropoxy)benzaldehyde
CID 83854624
1-hex-1-en-3-yloxy-4-nitrobenzene
CID 58105900

Frequently Asked Questions

What is the IUPAC name of 3-hex-1-en-3-yloxybenzaldehyde?
The IUPAC name of 3-hex-1-en-3-yloxybenzaldehyde (CID 73229567) is 3-hex-1-en-3-yloxybenzaldehyde.
What is the SMILES notation for 3-hex-1-en-3-yloxybenzaldehyde?
The canonical SMILES for 3-hex-1-en-3-yloxybenzaldehyde is C=CC(CCC)Oc1cccc(C=O)c1.
What is the InChIKey of 3-hex-1-en-3-yloxybenzaldehyde?
The InChIKey is QUJYTZTXNCOIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-6-12(4-2)15-13-8-5-7-11(9-13)10-14/h4-5,7-10,12H,2-3,6H2,1H3.
What are the key properties of 3-hex-1-en-3-yloxybenzaldehyde?
3-hex-1-en-3-yloxybenzaldehyde has a molecular weight of 204.27 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-en-3-yloxybenzaldehyde is sourced from PubChem (CID 73229567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).