4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde

C18H24O3 — CID 118899060

IUPAC4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde
SMILESCC(C)c1c(C2CC2)ccc(C=O)c1OC1CCCCO1
InChIInChI=1S/C18H24O3/c1-12(2)17-15(13-6-7-13)9-8-14(11-19)18(17)21-16-5-3-4-10-20-16/h8-9,11-13,16H,3-7,10H2,1-2H3
InChIKeyQHBCNFQBGCZOGE-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.41
Rot. Bonds5

About 4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde

4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde (PubChem CID 118899060) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde
PubChem CID118899060
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde
SMILESCC(C)c1c(C2CC2)ccc(C=O)c1OC1CCCCO1
InChIInChI=1S/C18H24O3/c1-12(2)17-15(13-6-7-13)9-8-14(11-19)18(17)21-16-5-3-4-10-20-16/h8-9,11-13,16H,3-7,10H2,1-2H3
InChIKeyQHBCNFQBGCZOGE-UHFFFAOYSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde?
The IUPAC name of 4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde (CID 118899060) is 4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde?
The canonical SMILES for 4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde is CC(C)c1c(C2CC2)ccc(C=O)c1OC1CCCCO1.
What is the InChIKey of 4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde?
The InChIKey is QHBCNFQBGCZOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-12(2)17-15(13-6-7-13)9-8-14(11-19)18(17)21-16-5-3-4-10-20-16/h8-9,11-13,16H,3-7,10H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde?
4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde has a molecular weight of 288.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde is sourced from PubChem (CID 118899060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).