4-(4-methylpent-3-enoxy)benzaldehyde

C13H16O2 — CID 139652723

IUPAC4-(4-methylpent-3-enoxy)benzaldehyde
SMILESCC(C)=CCCOc1ccc(C=O)cc1
InChIInChI=1S/C13H16O2/c1-11(2)4-3-9-15-13-7-5-12(10-14)6-8-13/h4-8,10H,3,9H2,1-2H3
InChIKeyPMVDEJHWWSNWNL-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.23
Rot. Bonds5

About 4-(4-methylpent-3-enoxy)benzaldehyde

4-(4-methylpent-3-enoxy)benzaldehyde (PubChem CID 139652723) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(4-methylpent-3-enoxy)benzaldehyde.

Molecular Properties

Compound Name4-(4-methylpent-3-enoxy)benzaldehyde
PubChem CID139652723
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-(4-methylpent-3-enoxy)benzaldehyde
SMILESCC(C)=CCCOc1ccc(C=O)cc1
InChIInChI=1S/C13H16O2/c1-11(2)4-3-9-15-13-7-5-12(10-14)6-8-13/h4-8,10H,3,9H2,1-2H3
InChIKeyPMVDEJHWWSNWNL-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
N-[3-(4-formylphenoxy)propyl]acetamide
CID 82037091
4-(2-fluoroethoxy)benzaldehyde
CID 15058649
4-(2-phosphanylethoxy)benzaldehyde
CID 143962429
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-icosoxybenzaldehyde
CID 23127488
ethanol;4-octadecoxybenzaldehyde
CID 158692714
N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide
CID 162419278
4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde
CID 106438554
4-hex-5-ynoxybenzaldehyde
CID 57323405

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpent-3-enoxy)benzaldehyde?
The IUPAC name of 4-(4-methylpent-3-enoxy)benzaldehyde (CID 139652723) is 4-(4-methylpent-3-enoxy)benzaldehyde.
What is the SMILES notation for 4-(4-methylpent-3-enoxy)benzaldehyde?
The canonical SMILES for 4-(4-methylpent-3-enoxy)benzaldehyde is CC(C)=CCCOc1ccc(C=O)cc1.
What is the InChIKey of 4-(4-methylpent-3-enoxy)benzaldehyde?
The InChIKey is PMVDEJHWWSNWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-11(2)4-3-9-15-13-7-5-12(10-14)6-8-13/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 4-(4-methylpent-3-enoxy)benzaldehyde?
4-(4-methylpent-3-enoxy)benzaldehyde has a molecular weight of 204.27 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-3-enoxy)benzaldehyde is sourced from PubChem (CID 139652723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).