4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde

C15H18O3 — CID 143714272

IUPAC4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde
SMILESC=CCOc1cc(C=O)ccc1OC1CCCC1
InChIInChI=1S/C15H18O3/c1-2-9-17-15-10-12(11-16)7-8-14(15)18-13-5-3-4-6-13/h2,7-8,10-11,13H,1,3-6,9H2
InChIKeyXMRZUDVUYNJXIX-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.39
Rot. Bonds6

About 4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde

4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde (PubChem CID 143714272) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde.

Molecular Properties

Compound Name4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde
PubChem CID143714272
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde
SMILESC=CCOc1cc(C=O)ccc1OC1CCCC1
InChIInChI=1S/C15H18O3/c1-2-9-17-15-10-12(11-16)7-8-14(15)18-13-5-3-4-6-13/h2,7-8,10-11,13H,1,3-6,9H2
InChIKeyXMRZUDVUYNJXIX-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethenyl-4-prop-2-enoxybenzaldehyde
CID 134858679
4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde
CID 10704725
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
3-benzyl-4-prop-2-enoxybenzaldehyde
CID 130337135
4-cyclopentyloxybenzaldehyde
CID 3152724
3-hept-6-enoxy-4-methoxybenzaldehyde
CID 107007313
bromocyclopentane;3-cyclopentyloxy-4-methoxybenzaldehyde;3-hydroxy-4-methoxybenzaldehyde;hydroiodide
CID 158018950
3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde
CID 112745923
3,4-bis(oxiran-2-ylmethoxy)benzaldehyde
CID 175734853
2-cyclohexyloxypyridine-4-carbaldehyde
CID 88984820
3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde
CID 87405681
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde?
The IUPAC name of 4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde (CID 143714272) is 4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde.
What is the SMILES notation for 4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde?
The canonical SMILES for 4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde is C=CCOc1cc(C=O)ccc1OC1CCCC1.
What is the InChIKey of 4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde?
The InChIKey is XMRZUDVUYNJXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-9-17-15-10-12(11-16)7-8-14(15)18-13-5-3-4-6-13/h2,7-8,10-11,13H,1,3-6,9H2.
What are the key properties of 4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde?
4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde has a molecular weight of 246.31 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde is sourced from PubChem (CID 143714272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).